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

C16H17BrClN — CID 115483674

IUPAC(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C16H17BrClN/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)11(3)7-15(13)18/h4-8,16H,19H2,1-3H3
InChIKeyNJMSXUDPSRMLHX-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.08
Rot. Bonds2

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

(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (PubChem CID 115483674) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.

Molecular Properties

Compound Name(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
PubChem CID115483674
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine
SMILESCc1cc(Cl)c(C(N)c2ccc(C)c(Br)c2)cc1C
InChIInChI=1S/C16H17BrClN/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)11(3)7-15(13)18/h4-8,16H,19H2,1-3H3
InChIKeyNJMSXUDPSRMLHX-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 115483749
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
(3-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanamine
CID 107998871
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(2-chloro-4,5-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 115483715
(3-bromo-4-methylphenyl)-(4-bromophenyl)methanamine
CID 81472586
(2-chloro-4,5-dimethylphenyl)-(2,3-dihydro-1H-inden-5-yl)methanamine
CID 115483649
(3-bromo-5-chloro-2-methoxyphenyl)-(3-bromo-4-methylphenyl)methanamine
CID 81471992
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
(3-bromo-4-methylphenyl)-(2,5-dimethylfuran-3-yl)methanamine
CID 81472595
(4-bromo-2,5-dimethylphenyl)-(3-chloro-4-fluorophenyl)methanamine
CID 82875568
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanamine
CID 107998899

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The IUPAC name of (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine (CID 115483674) is (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine.
What is the SMILES notation for (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The canonical SMILES for (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is Cc1cc(Cl)c(C(N)c2ccc(C)c(Br)c2)cc1C.
What is the InChIKey of (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
The InChIKey is NJMSXUDPSRMLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-9-4-5-12(8-14(9)17)16(19)13-6-10(2)11(3)7-15(13)18/h4-8,16H,19H2,1-3H3.
What are the key properties of (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine?
(3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine has a molecular weight of 338.68 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-methylphenyl)-(2-chloro-4,5-dimethylphenyl)methanamine is sourced from PubChem (CID 115483674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).