Name: Name:1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanone
Brand: Angene
SKU: AG00399W
Rating: 90 (10 reviews)

1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanone

CAS No.:

64552-17-6

Catalog Number:

AG00399W

Molecular Formula:

C17H26FNO3

Molecular Weight:

311.3916

Catalog Number:

AG00399W

Chemical Name:

1-[2-[3-[(1,1-Dimethylethyl)amino]-2-hydroxypropoxy]-5-fluorophenyl]-1-butanone

CAS Number:

64552-17-6

Molecular Formula:

C17H26FNO3

Molecular Weight:

311.3916

MDL Number:

MFCD00864575

IUPAC Name:

1-[2-[3-(tert-butylamino)-2-hydroxypropoxy]-5-fluorophenyl]butan-1-one

InChI:

InChI=1S/C17H26FNO3/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4/h7-9,13,19-20H,5-6,10-11H2,1-4H3

InChI Key:

NMBNQRJDEPOXCP-UHFFFAOYSA-N

SMILES:

CCCC(=O)c1cc(F)ccc1OCC(CNC(C)(C)C)O

EC Number:

261-502-5

Complexity:

343

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.19g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.397g/mol

Monoisotopic Mass:

311.19g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9