Name: Name:3-(2,4-dimethylphenyl)propan-1-amine
Brand: Angene
SKU: AG019ODA
Rating: 90 (10 reviews)

3-(2,4-dimethylphenyl)propan-1-amine

CAS No.:

377083-88-0

Catalog Number:

AG019ODA

Molecular Formula:

C11H17N

Molecular Weight:

163.2594

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Product Description

Catalog Number:

AG019ODA

Chemical Name:

3-(2,4-dimethylphenyl)propan-1-amine

CAS Number:

377083-88-0

Molecular Formula:

C11H17N

Molecular Weight:

163.2594

MDL Number:

MFCD07312762

IUPAC Name:

3-(2,4-dimethylphenyl)propan-1-amine

InChI:

InChI=1S/C11H17N/c1-9-5-6-11(4-3-7-12)10(2)8-9/h5-6,8H,3-4,7,12H2,1-2H3

InChI Key:

VSZZXNDMAVSNDT-UHFFFAOYSA-N

SMILES:

NCCCc1ccc(cc1C)C

Properties

Complexity:

122

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

163.136g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

163.264g/mol

Monoisotopic Mass:

163.136g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

26A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101