(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine

C15H14Br2ClNO2 — CID 107950937

IUPAC(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Br)c(OC)c1Cl
InChIInChI=1S/C15H14Br2ClNO2/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(16)7-11(9)17/h3-7,14H,19H2,1-2H3
InChIKeyRVDJYJAWUKFAEG-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.93
Rot. Bonds4

About (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine

(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine (PubChem CID 107950937) has the molecular formula C15H14Br2ClNO2 and a molecular weight of 435.54 g/mol. Its IUPAC name is (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
PubChem CID107950937
Molecular FormulaC15H14Br2ClNO2
Molecular Weight435.54 g/mol
Exact Mass432.91
IUPAC Name(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(Br)cc2Br)c(OC)c1Cl
InChIInChI=1S/C15H14Br2ClNO2/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(16)7-11(9)17/h3-7,14H,19H2,1-2H3
InChIKeyRVDJYJAWUKFAEG-UHFFFAOYSA-N
XLogP4.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.54
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)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)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-3-chloro-2,4-dimethoxybenzene
CID 107959180
(2-bromo-4,5-dimethoxyphenyl)-(2,5-dibromophenyl)methanamine
CID 114368828
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
(4-bromo-2-chlorophenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43805331
(4-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103435334
(3-bromo-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107947925
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine (CID 107950937) is (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine is COc1ccc(C(N)c2ccc(Br)cc2Br)c(OC)c1Cl.
What is the InChIKey of (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine?
The InChIKey is RVDJYJAWUKFAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO2/c1-20-12-6-5-10(15(21-2)13(12)18)14(19)9-4-3-8(16)7-11(9)17/h3-7,14H,19H2,1-2H3.
What are the key properties of (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine?
(3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine has a molecular weight of 435.54 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-dimethoxyphenyl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107950937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).