N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

C17H19BrClN — CID 43805274

IUPACN-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-8-6-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyWFXLLYSKMZZXOX-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.42
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine

N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (PubChem CID 43805274) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
PubChem CID43805274
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC NameN-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(C)cc1C)c1ccc(Br)cc1Cl
InChIInChI=1S/C17H19BrClN/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-8-6-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3
InChIKeyWFXLLYSKMZZXOX-UHFFFAOYSA-N
XLogP5.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine 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-[(2,5-dibromophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43489703
N-[(2-chloro-4-methylphenyl)-(2,4,6-trimethylphenyl)methyl]ethanamine
CID 106861014
N-[(4-bromo-2-chlorophenyl)-(2,3-dichlorophenyl)methyl]ethanamine
CID 115851142
N-[(2,3-dichlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 43490022
N-[(4-bromo-3-chloro-2-fluorophenyl)-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106859024
N-[(4-bromo-5-chloro-2-fluorophenyl)-(2-chloro-4-methylphenyl)methyl]ethanamine
CID 106861169
N-[(4-bromo-2-chlorophenyl)-(2,4-difluorophenyl)methyl]ethanamine
CID 43805280
N-[(4-bromo-5-chloro-2-fluorophenyl)-(4-bromo-2-methylphenyl)methyl]ethanamine
CID 105399047
N-[(2,4-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 107950513
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
N-[(2,5-dibromophenyl)-(2,4-dichlorophenyl)methyl]ethanamine
CID 43489635
N-[(4-bromo-2-chlorophenyl)-(3-bromo-5-methylthiophen-2-yl)methyl]ethanamine
CID 65279726

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine (CID 43805274) is N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is CCNC(c1ccc(C)cc1C)c1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
The InChIKey is WFXLLYSKMZZXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-4-20-17(14-7-5-11(2)9-12(14)3)15-8-6-13(18)10-16(15)19/h5-10,17,20H,4H2,1-3H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine?
N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)-(2,4-dimethylphenyl)methyl]ethanamine is sourced from PubChem (CID 43805274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).