(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine

C13H10BrCl2N — CID 114024420

IUPAC(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2N/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7,13H,17H2
InChIKeyMWDFPZTXZQCPMC-UHFFFAOYSA-N
MW331.04 g/mol
LogP4.80
Rot. Bonds2

About (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine

(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine (PubChem CID 114024420) has the molecular formula C13H10BrCl2N and a molecular weight of 331.04 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
PubChem CID114024420
Molecular FormulaC13H10BrCl2N
Molecular Weight331.04 g/mol
Exact Mass328.94
IUPAC Name(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Br
InChIInChI=1S/C13H10BrCl2N/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7,13H,17H2
InChIKeyMWDFPZTXZQCPMC-UHFFFAOYSA-N
XLogP4.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-4-chlorophenyl)-(4-propylphenyl)methanamine
CID 107987302
(2-bromo-4-chlorophenyl)-(4-chloro-3-methoxyphenyl)methanamine
CID 107994143
[(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methyl]hydrazine
CID 107996581
(2-bromo-4-chlorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanamine
CID 107987604
(3-bromo-5-chloro-2-methoxyphenyl)-(4-chlorophenyl)methanamine
CID 43110728
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
(2-bromo-4-chlorophenyl)-(3-bromofuran-2-yl)methanamine
CID 107993309
(2-bromo-4-chlorophenyl)-(5-bromothiophen-2-yl)methanamine
CID 107987471
(5-chloro-2-methylphenyl)-(4-chlorophenyl)methanamine
CID 79016195
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(2-bromo-4-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107987487
(4-chlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43198498

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine?
The IUPAC name of (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine (CID 114024420) is (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine is NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine?
The InChIKey is MWDFPZTXZQCPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2N/c14-12-7-10(16)5-6-11(12)13(17)8-1-3-9(15)4-2-8/h1-7,13H,17H2.
What are the key properties of (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine?
(2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine has a molecular weight of 331.04 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(4-chlorophenyl)methanamine is sourced from PubChem (CID 114024420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).