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

C15H15BrClN — CID 60817908

IUPAC2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClN/c1-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16/h2-9,15,18H,10H2,1H3
InChIKeyYOOGKWOEOAGELA-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.61
Rot. Bonds4

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

2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine (PubChem CID 60817908) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
PubChem CID60817908
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClN/c1-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16/h2-9,15,18H,10H2,1H3
InChIKeyYOOGKWOEOAGELA-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
2-[(2R)-2-(4-chlorophenyl)-2-(methylamino)ethyl]aniline
CID 125466322
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115787187
2-(2-bromophenyl)-1-[4-(difluoromethoxy)phenyl]-N-methylethanamine
CID 115787231
2-(2-bromophenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 115787208
2-(2-bromophenyl)-N-methyl-1-pyrimidin-5-ylethanamine
CID 62829674
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
2-(2-bromophenyl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylethanamine
CID 115787083
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
3-(2-bromophenyl)-2-(4-chlorophenyl)-N-ethylpropan-1-amine
CID 79441626

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine (CID 60817908) is 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is YOOGKWOEOAGELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-18-15(11-6-8-13(17)9-7-11)10-12-4-2-3-5-14(12)16/h2-9,15,18H,10H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 60817908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).