(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine

C14H11BrCl3NO — CID 107998899

IUPAC(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl3NO/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6,14H,19H2,1H3
InChIKeyXESSGQIXSZJBRL-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.47
Rot. Bonds3

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

(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine (PubChem CID 107998899) has the molecular formula C14H11BrCl3NO and a molecular weight of 395.51 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
PubChem CID107998899
Molecular FormulaC14H11BrCl3NO
Molecular Weight395.51 g/mol
Exact Mass392.91
IUPAC Name(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
SMILESCOc1cc(Cl)c(C(N)c2ccc(Cl)c(Br)c2)cc1Cl
InChIInChI=1S/C14H11BrCl3NO/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6,14H,19H2,1H3
InChIKeyXESSGQIXSZJBRL-UHFFFAOYSA-N
XLogP5.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(3-bromo-4-chlorophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 107998536
(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(4-bromo-3-chlorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanamine
CID 81291000
(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
(2,5-dibromophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 114369246
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
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
CID 115483674
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine (CID 107998899) is (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine is COc1cc(Cl)c(C(N)c2ccc(Cl)c(Br)c2)cc1Cl.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
The InChIKey is XESSGQIXSZJBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl3NO/c1-20-13-6-11(17)8(5-12(13)18)14(19)7-2-3-10(16)9(15)4-7/h2-6,14H,19H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine?
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine has a molecular weight of 395.51 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 107998899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).