N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine

C17H19BrClN — CID 66159883

IUPACN-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrClN/c1-12(2)17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,12,17,20H,11H2,1-2H3
InChIKeyBCSHLOOAUGDPDH-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.59
Rot. Bonds5

About N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine

N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine (PubChem CID 66159883) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
PubChem CID66159883
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
SMILESCC(C)C(NCc1cc(Cl)ccc1Br)c1ccccc1
InChIInChI=1S/C17H19BrClN/c1-12(2)17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,12,17,20H,11H2,1-2H3
InChIKeyBCSHLOOAUGDPDH-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-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

(2R)-2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylethanol
CID 103766335
N-[(2-bromo-5-chlorophenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 66161042
methyl 2-[(2-bromo-5-chlorophenyl)methylamino]-2-phenylacetate
CID 66160749
(1R)-N-[(2-bromo-5-chlorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403407
N-[(2-bromo-5-chlorophenyl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 66159290
(1S)-N-[(2-bromo-5-chlorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 81399052
2-[[(2-methyl-1-phenylpropyl)amino]methyl]phenol;hydrochloride
CID 51117351
N-[(3-bromophenyl)methyl]-2-methyl-1-phenylpropan-1-amine
CID 43225620
N-[(2-bromo-5-chlorophenyl)methyl]-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 66159340
N-[(2-bromo-5-chlorophenyl)methyl]-1-(2,5-dimethylphenyl)ethanamine
CID 66160523
N-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-2-methyl-1-phenylpropan-1-amine
CID 78817732
N-[(2-bromo-5-chlorophenyl)methyl]-2-phenylethanamine
CID 66161236

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine (CID 66159883) is N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine is CC(C)C(NCc1cc(Cl)ccc1Br)c1ccccc1.
What is the InChIKey of N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
The InChIKey is BCSHLOOAUGDPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-12(2)17(13-6-4-3-5-7-13)20-11-14-10-15(19)8-9-16(14)18/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine?
N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-chlorophenyl)methyl]-2-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 66159883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).