1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine

C16H18ClN — CID 107096375

IUPAC1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClN/c1-11-7-9-13(10-8-11)16(18-3)14-5-4-6-15(17)12(14)2/h4-10,16,18H,1-3H3
InChIKeyZNAOOPABCDBDTE-UHFFFAOYSA-N
MW259.78 g/mol
LogP4.27
Rot. Bonds3

About 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine

1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 107096375) has the molecular formula C16H18ClN and a molecular weight of 259.78 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID107096375
Molecular FormulaC16H18ClN
Molecular Weight259.78 g/mol
Exact Mass259.11
IUPAC Name1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cccc(Cl)c1C
InChIInChI=1S/C16H18ClN/c1-11-7-9-13(10-8-11)16(18-3)14-5-4-6-15(17)12(14)2/h4-10,16,18H,1-3H3
InChIKeyZNAOOPABCDBDTE-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-bromo-3-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 107981867
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(5-bromofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107096586
6-[(3-chloro-2-methylphenyl)-(methylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 107096405
1-(3-chloro-2-methylphenyl)-1-(2,5-dichloro-4-methoxyphenyl)-N-methylmethanamine
CID 107096626
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2-chlorophenyl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 43480147
1-(2-chloro-4,5-dimethoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43486373
1-(4-bromo-2-chlorophenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 43805217
1-(3-chloro-2-methylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 107103127
1-(3-chloro-2-methylphenyl)-1-[5-(methoxymethyl)furan-2-yl]-N-methylmethanamine
CID 107096640

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine (CID 107096375) is 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is ZNAOOPABCDBDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN/c1-11-7-9-13(10-8-11)16(18-3)14-5-4-6-15(17)12(14)2/h4-10,16,18H,1-3H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine?
1-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine 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-(3-chloro-2-methylphenyl)-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 107096375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).