1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine

C15H15BrClN — CID 82783154

IUPAC1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-10(18-2)14-8-5-12(9-15(14)17)11-3-6-13(16)7-4-11/h3-10,18H,1-2H3
InChIKeyQPNOKAOZWOTKQQ-UHFFFAOYSA-N
MW324.65 g/mol
LogP5.05
Rot. Bonds3

About 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine

1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine (PubChem CID 82783154) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
PubChem CID82783154
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H15BrClN/c1-10(18-2)14-8-5-12(9-15(14)17)11-3-6-13(16)7-4-11/h3-10,18H,1-2H3
InChIKeyQPNOKAOZWOTKQQ-UHFFFAOYSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.65
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
1-[2-chloro-4-(3-nitrophenyl)phenyl]-N-methylethanamine
CID 82782798
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
1-[3-(4-bromophenyl)phenyl]-N-methylethanamine
CID 63888721
1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
1-[2-chloro-4-(3,4-dihydro-2H-chromen-6-yl)phenyl]-N-methylethanamine
CID 82775201
1-(2-chloro-4-quinolin-2-ylphenyl)-N-methylethanamine
CID 116645117
1-[4-(3-chloro-4-methylphenyl)phenyl]-N-methylethanamine
CID 115504108
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
4-bromo-N-[1-(4-bromo-2-chlorophenyl)ethyl]-2-chloroaniline
CID 82773321

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine?
The IUPAC name of 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine (CID 82783154) is 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine?
The InChIKey is QPNOKAOZWOTKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-10(18-2)14-8-5-12(9-15(14)17)11-3-6-13(16)7-4-11/h3-10,18H,1-2H3.
What are the key properties of 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine?
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine has a molecular weight of 324.65 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine is sourced from PubChem (CID 82783154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).