(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine

C14H12BrCl2NO — CID 107994143

IUPAC(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(16)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyNPSYRFSTTNEEOH-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.81
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine

(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine (PubChem CID 107994143) has the molecular formula C14H12BrCl2NO and a molecular weight of 361.07 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
PubChem CID107994143
Molecular FormulaC14H12BrCl2NO
Molecular Weight361.07 g/mol
Exact Mass358.95
IUPAC Name(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
SMILESCOc1cc(C(N)c2ccc(Cl)cc2Br)ccc1Cl
InChIInChI=1S/C14H12BrCl2NO/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(16)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyNPSYRFSTTNEEOH-UHFFFAOYSA-N
XLogP4.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-chlorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 115566906
(4-bromo-2-methylphenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 105006873
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
CID 114024420
(3-bromo-4-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanamine
CID 107998531
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(4-chloro-3-methoxyphenyl)-(3,5-dichlorophenyl)methanamine
CID 105007027
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(3-chloro-4-methoxyphenyl)-(2,5-dichlorophenyl)methanamine
CID 43131038
(2-bromo-4-chlorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 107995034
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
(3-bromo-5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanamine
CID 81288247

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine (CID 107994143) is (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine is COc1cc(C(N)c2ccc(Cl)cc2Br)ccc1Cl.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine?
The InChIKey is NPSYRFSTTNEEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2NO/c1-19-13-6-8(2-5-12(13)17)14(18)10-4-3-9(16)7-11(10)15/h2-7,14H,18H2,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine?
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine has a molecular weight of 361.07 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine is sourced from PubChem (CID 107994143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).