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

C15H14BrCl2NO2 — CID 81291000

IUPAC(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C15H14BrCl2NO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7,15H,19H2,1-2H3
InChIKeyQGVACCUELNPHGD-UHFFFAOYSA-N
MW391.09 g/mol
LogP4.82
Rot. Bonds4

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

(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine (PubChem CID 81291000) has the molecular formula C15H14BrCl2NO2 and a molecular weight of 391.09 g/mol. Its IUPAC name is (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine.

Molecular Properties

Compound Name(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
PubChem CID81291000
Molecular FormulaC15H14BrCl2NO2
Molecular Weight391.09 g/mol
Exact Mass388.96
IUPAC Name(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Br)c(Cl)c2)cc1OC
InChIInChI=1S/C15H14BrCl2NO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7,15H,19H2,1-2H3
InChIKeyQGVACCUELNPHGD-UHFFFAOYSA-N
XLogP4.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.09
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[bromo-(4-bromo-3-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 81294064
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-4-methylphenyl)methanamine
CID 105056645
(4-bromo-3-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanol
CID 81293426
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
CID 43384504
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
(4-bromo-3-chlorophenyl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035320
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The IUPAC name of (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine (CID 81291000) is (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine.
What is the SMILES notation for (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The canonical SMILES for (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine is COc1cc(Cl)c(C(N)c2ccc(Br)c(Cl)c2)cc1OC.
What is the InChIKey of (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
The InChIKey is QGVACCUELNPHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2NO2/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7,15H,19H2,1-2H3.
What are the key properties of (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine?
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine has a molecular weight of 391.09 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine is sourced from PubChem (CID 81291000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).