1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine

C17H19BrClN — CID 107988881

IUPAC1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClN/c1-11-4-5-13(8-12(11)2)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyWHHFSCQRICEUMA-UHFFFAOYSA-N
MW352.70 g/mol
LogP5.22
Rot. Bonds4

About 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine

1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 107988881) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID107988881
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1Br
InChIInChI=1S/C17H19BrClN/c1-11-4-5-13(8-12(11)2)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3
InChIKeyWHHFSCQRICEUMA-UHFFFAOYSA-N
XLogP5.22
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.70
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(2-bromo-4-chlorophenyl)-2-(3-methoxyphenyl)-N-methylethanamine
CID 107988818
1-(2-bromo-4-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107995550
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
[1-(2,4-dibromophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 107948068
1-(2-bromo-4-chlorophenyl)-2-(5-ethyl-2-pyridinyl)-N-methylethanamine
CID 107994454
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(2-bromo-4-chlorophenyl)-2-(5-bromothiophen-2-yl)-N-methylethanamine
CID 114025025
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 107988881) is 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1Br.
What is the InChIKey of 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is WHHFSCQRICEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-11-4-5-13(8-12(11)2)9-17(20-3)15-7-6-14(19)10-16(15)18/h4-8,10,17,20H,9H2,1-3H3.
What are the key properties of 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 352.70 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 107988881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).