1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine

C15H15BrClN — CID 114019196

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-18-15(7-11-5-3-2-4-6-11)12-8-13(16)10-14(17)9-12/h2-6,8-10,15,18H,7H2,1H3
InChIKeyUDXXGSVWNCGQSU-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine

1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine (PubChem CID 114019196) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
PubChem CID114019196
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-18-15(7-11-5-3-2-4-6-11)12-8-13(16)10-14(17)9-12/h2-6,8-10,15,18H,7H2,1H3
InChIKeyUDXXGSVWNCGQSU-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

1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 107945076
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3,5-dibromophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107974526
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(2-nitrophenyl)ethanamine
CID 107955239
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
1-(3-bromo-5-chlorophenyl)-N-ethyl-3-phenylpropan-1-amine
CID 107945113
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(3-bromo-5-chlorophenyl)-2-(5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 107945511
1-(3-bromo-5-chlorophenyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 107946710
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine (CID 114019196) is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine?
The InChIKey is UDXXGSVWNCGQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-18-15(7-11-5-3-2-4-6-11)12-8-13(16)10-14(17)9-12/h2-6,8-10,15,18H,7H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine 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 1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 114019196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).