(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

C16H17BrClNO — CID 107987604

IUPAC(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C16H17BrClNO/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(18)8-14(13)17/h4-8,15H,19H2,1-3H3
InChIKeyVQCXBBACNWAZKN-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.78
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine

(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (PubChem CID 107987604) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
PubChem CID107987604
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
SMILESCOc1c(C)cc(C(N)c2ccc(Cl)cc2Br)cc1C
InChIInChI=1S/C16H17BrClNO/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(18)8-14(13)17/h4-8,15H,19H2,1-3H3
InChIKeyVQCXBBACNWAZKN-UHFFFAOYSA-N
XLogP4.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)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

(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
5-[bromo-(2,4-dichlorophenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068733
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
5-[chloro-(5-chloro-2-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83067906
5-[bromo-(2-bromo-4-methylphenyl)methyl]-2-methoxy-1,3-dimethylbenzene
CID 83068657
(2-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanamine
CID 60786954
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(4-bromo-2,6-difluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 83044020
(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
CID 107987302

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine (CID 107987604) is (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is COc1c(C)cc(C(N)c2ccc(Cl)cc2Br)cc1C.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
The InChIKey is VQCXBBACNWAZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-9-6-11(7-10(2)16(9)20-3)15(19)13-5-4-12(18)8-14(13)17/h4-8,15H,19H2,1-3H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine?
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine has a molecular weight of 354.68 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107987604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).