N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine

C19H24BrN — CID 43695964

IUPACN-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)Cc1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H24BrN/c1-4-19(17-9-5-14(2)6-10-17)21-15(3)13-16-7-11-18(20)12-8-16/h5-12,15,19,21H,4,13H2,1-3H3
InChIKeyOFNKBAWVYPOZNM-UHFFFAOYSA-N
MW346.31 g/mol
LogP5.43
Rot. Bonds6

About N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine

N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine (PubChem CID 43695964) has the molecular formula C19H24BrN and a molecular weight of 346.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
PubChem CID43695964
Molecular FormulaC19H24BrN
Molecular Weight346.31 g/mol
Exact Mass345.11
IUPAC NameN-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine
SMILESCCC(NC(C)Cc1ccc(Br)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H24BrN/c1-4-19(17-9-5-14(2)6-10-17)21-15(3)13-16-7-11-18(20)12-8-16/h5-12,15,19,21H,4,13H2,1-3H3
InChIKeyOFNKBAWVYPOZNM-UHFFFAOYSA-N
XLogP5.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-bromophenyl)propan-2-yl]-1-(3-chlorophenyl)propan-1-amine
CID 43695932
(2R)-2-[1-(4-bromophenyl)propan-2-ylamino]-2-phenylethanol
CID 103522284
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
N-[1-(4-bromophenyl)propyl]-3,3-dimethylbutan-2-amine
CID 113457747
4-[1-[1-(4-fluorophenyl)propan-2-ylamino]propyl]phenol
CID 63008181
1-(4-bromophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 43695926
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
2-[1-(4-bromophenyl)propan-2-ylamino]propan-1-ol
CID 103522264
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine?
The IUPAC name of N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine (CID 43695964) is N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine?
The canonical SMILES for N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine is CCC(NC(C)Cc1ccc(Br)cc1)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine?
The InChIKey is OFNKBAWVYPOZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN/c1-4-19(17-9-5-14(2)6-10-17)21-15(3)13-16-7-11-18(20)12-8-16/h5-12,15,19,21H,4,13H2,1-3H3.
What are the key properties of N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine?
N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine has a molecular weight of 346.31 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propan-2-yl]-1-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 43695964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).