(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine

C14H11Br3ClN — CID 107998871

IUPAC(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C14H11Br3ClN/c1-7-4-11(16)9(6-10(7)15)14(19)8-2-3-13(18)12(17)5-8/h2-6,14H,19H2,1H3
InChIKeyQRCJQEWHEWHQJR-UHFFFAOYSA-N
MW468.41 g/mol
LogP5.98
Rot. Bonds2

About (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine

(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine (PubChem CID 107998871) has the molecular formula C14H11Br3ClN and a molecular weight of 468.41 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
PubChem CID107998871
Molecular FormulaC14H11Br3ClN
Molecular Weight468.41 g/mol
Exact Mass464.81
IUPAC Name(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
SMILESCc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1Br
InChIInChI=1S/C14H11Br3ClN/c1-7-4-11(16)9(6-10(7)15)14(19)8-2-3-13(18)12(17)5-8/h2-6,14H,19H2,1H3
InChIKeyQRCJQEWHEWHQJR-UHFFFAOYSA-N
XLogP5.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)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)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-bromo-4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 113337076
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanamine
CID 115566688
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(3-chloro-2-methylphenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107096610
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine (CID 107998871) is (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine is Cc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1Br.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
The InChIKey is QRCJQEWHEWHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3ClN/c1-7-4-11(16)9(6-10(7)15)14(19)8-2-3-13(18)12(17)5-8/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine has a molecular weight of 468.41 g/mol, XLogP of 5.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine is sourced from PubChem (CID 107998871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).