1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine

C18H22ClN — CID 107102959

IUPAC1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1c(C)cccc1C)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-12-7-5-8-13(2)16(12)11-18(20-4)15-9-6-10-17(19)14(15)3/h5-10,18,20H,11H2,1-4H3
InChIKeyRWCHXDMDOKMQMZ-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.77
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine

1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine (PubChem CID 107102959) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
PubChem CID107102959
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1c(C)cccc1C)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-12-7-5-8-13(2)16(12)11-18(20-4)15-9-6-10-17(19)14(15)3/h5-10,18,20H,11H2,1-4H3
InChIKeyRWCHXDMDOKMQMZ-UHFFFAOYSA-N
XLogP4.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 107102055
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107097065
1-(3-chloro-2-methylphenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 107103195
[1-(3-chloro-2-methylphenyl)-2-(2,4,6-trimethylphenyl)ethyl]hydrazine
CID 107103616
1-(3-chloro-2-methylphenyl)-N-methylheptan-1-amine
CID 107102165
1-(3-chloro-2-methylphenyl)-N-methylhex-5-en-1-amine
CID 107102445
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
2-(2,6-dichlorophenyl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 66270996
1-(4-chloro-3-fluorophenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107994783
(1S)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 96656380
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
2-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107102608

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine (CID 107102959) is 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine is CNC(Cc1c(C)cccc1C)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine?
The InChIKey is RWCHXDMDOKMQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-7-5-8-13(2)16(12)11-18(20-4)15-9-6-10-17(19)14(15)3/h5-10,18,20H,11H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine?
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine has a molecular weight of 287.83 g/mol, XLogP of 4.77, 4 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)-2-(2,6-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 107102959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).