2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine

C16H17BrClN — CID 107097065

IUPAC2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C16H17BrClN/c1-11-14(4-3-5-15(11)18)16(19-2)10-12-6-8-13(17)9-7-12/h3-9,16,19H,10H2,1-2H3
InChIKeyACPRDHZYRDRFHE-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.91
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine (PubChem CID 107097065) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
PubChem CID107097065
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C16H17BrClN/c1-11-14(4-3-5-15(11)18)16(19-2)10-12-6-8-13(17)9-7-12/h3-9,16,19H,10H2,1-2H3
InChIKeyACPRDHZYRDRFHE-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118
1-(2,3-dimethylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844094
2-(4-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 63413113
1-(2-bromo-5-methylphenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 81112448
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine (CID 107097065) is 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1C.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
The InChIKey is ACPRDHZYRDRFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11-14(4-3-5-15(11)18)16(19-2)10-12-6-8-13(17)9-7-12/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine has a molecular weight of 338.68 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 107097065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).