(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine

C14H12BrCl2NO — CID 107998536

IUPAC(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-5-3-9(7-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14H,18H2,1H3
InChIKeyJEVOFQBEIFNINL-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.81
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine

(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine (PubChem CID 107998536) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
PubChem CID107998536
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-5-3-9(7-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14H,18H2,1H3
InChIKeyJEVOFQBEIFNINL-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine 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

(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 63194534
(3-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 55162756
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 55164032
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(3-bromo-4-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114659728

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine (CID 107998536) is (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
The InChIKey is JEVOFQBEIFNINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-13-5-3-9(7-12(13)17)14(18)8-2-4-11(16)10(15)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 107998536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).