N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine

C17H19BrClN — CID 43234052

IUPACN-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-12(2)17(14-6-8-16(19)9-7-14)20-11-13-4-3-5-15(18)10-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyNCOWDFWUYXEKHB-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.59
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine

N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine (PubChem CID 43234052) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine
PubChem CID43234052
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine
SMILESCC(C)C(NCc1cccc(Br)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19BrClN/c1-12(2)17(14-6-8-16(19)9-7-14)20-11-13-4-3-5-15(18)10-13/h3-10,12,17,20H,11H2,1-2H3
InChIKeyNCOWDFWUYXEKHB-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-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-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

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine (CID 43234052) is N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine is CC(C)C(NCc1cccc(Br)c1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine?
The InChIKey is NCOWDFWUYXEKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-12(2)17(14-6-8-16(19)9-7-14)20-11-13-4-3-5-15(18)10-13/h3-10,12,17,20H,11H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine?
N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-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-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 43234052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).