1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine

C18H22ClN — CID 107102055

IUPAC1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-12-8-13(2)10-15(9-12)11-18(20-4)16-6-5-7-17(19)14(16)3/h5-10,18,20H,11H2,1-4H3
InChIKeyWHCOMDNCMLAFMC-UHFFFAOYSA-N
MW287.83 g/mol
LogP4.77
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine

1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine (PubChem CID 107102055) has the molecular formula C18H22ClN and a molecular weight of 287.83 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
PubChem CID107102055
Molecular FormulaC18H22ClN
Molecular Weight287.83 g/mol
Exact Mass287.14
IUPAC Name1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(C)cc(C)c1)c1cccc(Cl)c1C
InChIInChI=1S/C18H22ClN/c1-12-8-13(2)10-15(9-12)11-18(20-4)16-6-5-7-17(19)14(16)3/h5-10,18,20H,11H2,1-4H3
InChIKeyWHCOMDNCMLAFMC-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-difluorophenyl)-N-methylethanamine
CID 107103195
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107097065
1-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenyl)-N-methylethanamine
CID 107102959
1-(3-chloro-2-methylphenyl)-2-(2,5-dimethylpyrazol-3-yl)-N-methylethanamine
CID 107102582
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
[1-(2-chloro-3-methylphenyl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287257
[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-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
1-(2,3-dichlorophenyl)-2-(3,5-dimethylphenyl)ethanamine
CID 63416558
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-fluorophenyl)-N-methylethanamine
CID 103043118

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine (CID 107102055) is 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine is CNC(Cc1cc(C)cc(C)c1)c1cccc(Cl)c1C.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
The InChIKey is WHCOMDNCMLAFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN/c1-12-8-13(2)10-15(9-12)11-18(20-4)16-6-5-7-17(19)14(16)3/h5-10,18,20H,11H2,1-4H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-2-(3,5-dimethylphenyl)-N-methylethanamine?
1-(3-chloro-2-methylphenyl)-2-(3,5-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-(3,5-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 107102055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).