Name: Name:(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Brand: Angene
SKU: AG00DL6M
Rating: 90 (10 reviews)

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

CAS No.:

488787-59-3

Catalog Number:

AG00DL6M

Molecular Formula:

C20H23FN2O2

Molecular Weight:

342.4072

Catalog Number:

AG00DL6M

Chemical Name:

(-)-4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

CAS Number:

488787-59-3

Molecular Formula:

C20H23FN2O2

Molecular Weight:

342.4072

MDL Number:

MFCD16661208

IUPAC Name:

4-[(1S)-4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

InChI:

InChI=1S/C20H23FN2O2/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24/h4-9,12,24-25H,3,10-11,14H2,1-2H3/t20-/m0/s1

InChI Key:

GNULRNVWXYXBQY-FQEVSTJZSA-N

SMILES:

OCc1cc(C#N)ccc1[C@@](c1ccc(cc1)F)(CCCN(C)C)O

UNII:

F848JLN2QI

Complexity:

456

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

342.174g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

342.414g/mol

Monoisotopic Mass:

342.174g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2