(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine

C15H15BrClNO2 — CID 107945621

IUPAC(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1OC
InChIInChI=1S/C15H15BrClNO2/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8,15H,18H2,1-2H3
InChIKeyUXHHDWZZVMGERO-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.17
Rot. Bonds4

About (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine

(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine (PubChem CID 107945621) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
PubChem CID107945621
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1OC
InChIInChI=1S/C15H15BrClNO2/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8,15H,18H2,1-2H3
InChIKeyUXHHDWZZVMGERO-UHFFFAOYSA-N
XLogP4.17
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)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

(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
(3-bromo-5-chlorophenyl)-(3,4-diethylphenyl)methanamine
CID 107950848
(3-bromo-4-methoxyphenyl)-(3-chlorophenyl)methanamine
CID 43131111
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(3-bromo-5-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanol
CID 107947631
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
1,3-dibromo-5-[bromo-(3,4-dimethoxyphenyl)methyl]benzene
CID 107980871
(5-bromo-2-methylphenyl)-(3,4-dimethoxyphenyl)methanamine
CID 65307979
[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107948201
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine (CID 107945621) is (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine is COc1ccc(C(N)c2cc(Cl)cc(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is UXHHDWZZVMGERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-19-13-4-3-9(7-14(13)20-2)15(18)10-5-11(16)8-12(17)6-10/h3-8,15H,18H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine?
(3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 356.65 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 107945621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).