1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C16H17BrClN — CID 115797356

IUPAC1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyYKEANDTUVDMKDT-UHFFFAOYSA-N
MW338.68 g/mol
LogP5.03
Rot. Bonds3

About 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 115797356) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID115797356
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C16H17BrClN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3
InChIKeyYKEANDTUVDMKDT-UHFFFAOYSA-N
XLogP5.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.68
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-fluorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 115796591
1-(4-bromo-3-chlorophenyl)-1-(3-bromo-4-fluorophenyl)-N-methylmethanamine
CID 81290682
1-(4-bromo-3-chlorophenyl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 81290742
1-(4-bromo-3-chlorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 81289992
1-(4-bromo-3-chlorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877683
1-(4-bromo-3-chlorophenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81290075
1-(3-chloro-4-iodophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 103215908
1-(3-bromo-5-methylphenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 104851144
1-(4-bromophenyl)-1-(3-fluoro-5-methylphenyl)-N-methylmethanamine
CID 79704481
1-(4-bromo-3-chlorophenyl)-1-(2-chloro-4,5-difluorophenyl)-N-methylmethanamine
CID 107476135
1-(4-bromo-3-chlorophenyl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 81290766
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 115797356) is 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is YKEANDTUVDMKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-10-6-11(2)8-13(7-10)16(19-3)12-4-5-14(17)15(18)9-12/h4-9,16,19H,1-3H3.
What are the key properties of 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 338.68 g/mol, XLogP of 5.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chlorophenyl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 115797356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).