1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine

C16H17BrClN — CID 107945076

IUPAC1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H17BrClN/c1-11-4-3-5-12(6-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3
InChIKeyWCQQVBMQZASOGH-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.91
Rot. Bonds4

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

1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine (PubChem CID 107945076) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
PubChem CID107945076
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
SMILESCNC(Cc1cccc(C)c1)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C16H17BrClN/c1-11-4-3-5-12(6-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3
InChIKeyWCQQVBMQZASOGH-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

1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
1-(3-bromo-5-chlorophenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 107945139
1-(3,5-dichlorophenyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 63526721
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 107945134
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818143
1-(3-bromo-5-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 107946919
1-(3-bromo-5-chlorophenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 107946978
1-(3-bromo-4-methoxyphenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62389754
1-(3-bromo-5-chlorophenyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 107945442
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine (CID 107945076) is 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine is CNC(Cc1cccc(C)c1)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
The InChIKey is WCQQVBMQZASOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11-4-3-5-12(6-11)7-16(19-2)13-8-14(17)10-15(18)9-13/h3-6,8-10,16,19H,7H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine?
1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine 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 1-(3-bromo-5-chlorophenyl)-N-methyl-2-(3-methylphenyl)ethanamine is sourced from PubChem (CID 107945076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).