1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

C16H18ClN — CID 43480147

IUPAC1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-11-8-9-13(10-12(11)2)16(18-3)14-6-4-5-7-15(14)17/h4-10,16,18H,1-3H3
InChIKeyGLXKRTNLNWOBKR-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.27
Rot. Bonds3

About 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine

1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (PubChem CID 43480147) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
PubChem CID43480147
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C16H18ClN/c1-11-8-9-13(10-12(11)2)16(18-3)14-6-4-5-7-15(14)17/h4-10,16,18H,1-3H3
InChIKeyGLXKRTNLNWOBKR-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 62716429
1-(5-chloro-2-methylphenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 82883588
1-(2-chlorophenyl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 55125063
1-(2-chlorophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55110975
1-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480178
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
1-(3,4-dimethylphenyl)-N-methyl-1-(3-methylphenyl)methanamine
CID 43480217
1-(3-chloro-4-fluorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 55182168
1-(3-bromo-4-methylphenyl)-1-(2-chloro-4,5-dimethylphenyl)-N-methylmethanamine
CID 115483873
1-(2-chlorophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 81231599
1-(3,4-dimethylphenyl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 79802800

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine (CID 43480147) is 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is CNC(c1ccc(C)c(C)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
The InChIKey is GLXKRTNLNWOBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-8-9-13(10-12(11)2)16(18-3)14-6-4-5-7-15(14)17/h4-10,16,18H,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine?
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine has a molecular weight of 259.78 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 43480147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).