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

C15H14BrCl2N — CID 107950627

IUPAC(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-8-4-14(18)9(2)3-13(8)15(19)10-5-11(16)7-12(17)6-10/h3-7,15H,19H2,1-2H3
InChIKeyPKHVELSYAKJZMD-UHFFFAOYSA-N
MW359.09 g/mol
LogP5.42
Rot. Bonds2

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

(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine (PubChem CID 107950627) has the molecular formula C15H14BrCl2N and a molecular weight of 359.09 g/mol. Its IUPAC name is (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
PubChem CID107950627
Molecular FormulaC15H14BrCl2N
Molecular Weight359.09 g/mol
Exact Mass356.97
IUPAC Name(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine
SMILESCc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Cl
InChIInChI=1S/C15H14BrCl2N/c1-8-4-14(18)9(2)3-13(8)15(19)10-5-11(16)7-12(17)6-10/h3-7,15H,19H2,1-2H3
InChIKeyPKHVELSYAKJZMD-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.09
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethylphenyl)methanamine
CID 107950603
N-[(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methyl]ethanamine
CID 107950635
1-[bromo-(3-bromo-5-chlorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 107959104
(3-bromo-5-chlorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 107950523
(3-bromo-5-chlorophenyl)-(2-fluoro-5-methylphenyl)methanamine
CID 114019265
1-(3-bromo-5-chlorophenyl)-N-methyl-1-(2,4,5-trimethylphenyl)methanamine
CID 107946026
(4-bromo-3,5-dimethylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 114330259
(1S)-1-(4-chloro-2,5-dimethylphenyl)propan-1-amine
CID 82758328
(4-chloro-3-methylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990516
(3,5-dichlorophenyl)-(2,4-dimethylphenyl)methanamine
CID 43096001
(3-bromo-5-methylphenyl)-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 105032843
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine (CID 107950627) is (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine is Cc1cc(C(N)c2cc(Cl)cc(Br)c2)c(C)cc1Cl.
What is the InChIKey of (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine?
The InChIKey is PKHVELSYAKJZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N/c1-8-4-14(18)9(2)3-13(8)15(19)10-5-11(16)7-12(17)6-10/h3-7,15H,19H2,1-2H3.
What are the key properties of (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine?
(3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine has a molecular weight of 359.09 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-chlorophenyl)-(4-chloro-2,5-dimethylphenyl)methanamine is sourced from PubChem (CID 107950627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).