(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine

C15H14Br2ClNO2 — CID 107998531

IUPAC(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C15H14Br2ClNO2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,19H2,1-2H3
InChIKeyLIMCTCKAFJJITR-UHFFFAOYSA-N
MW435.54 g/mol
LogP4.93
Rot. Bonds4

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

(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine (PubChem CID 107998531) has the molecular formula C15H14Br2ClNO2 and a molecular weight of 435.54 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
PubChem CID107998531
Molecular FormulaC15H14Br2ClNO2
Molecular Weight435.54 g/mol
Exact Mass432.91
IUPAC Name(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1OC
InChIInChI=1S/C15H14Br2ClNO2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,19H2,1-2H3
InChIKeyLIMCTCKAFJJITR-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

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Related Compounds

(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanamine
CID 107998932
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
(2-bromo-4,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methanamine
CID 43118241

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine (CID 107998531) is (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine is COc1cc(Br)c(C(N)c2ccc(Cl)c(Br)c2)cc1OC.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine?
The InChIKey is LIMCTCKAFJJITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2ClNO2/c1-20-13-6-9(10(16)7-14(13)21-2)15(19)8-3-4-12(18)11(17)5-8/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)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-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 107998531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).