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

C17H20ClN — CID 63415502

IUPAC1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeySNUSDTDMYWFYRW-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.46
Rot. Bonds4

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

1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 63415502) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID63415502
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccccc1Cl
InChIInChI=1S/C17H20ClN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3
InChIKeySNUSDTDMYWFYRW-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenyl)-2-(3,4-dichlorophenyl)-N-methylethanamine
CID 63415410
2-(3,4-dimethylphenyl)-1-(2-fluorophenyl)-N-methylethanamine
CID 62537490
1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63414512
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
[1-(2,3-dichlorophenyl)-2-(3,4-dimethylphenyl)ethyl]hydrazine
CID 105215164
1-(2,3-difluoro-4-methylphenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107513318
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
1-(2-chlorophenyl)-N-methyl-2-thiophen-3-ylethanamine
CID 61078376
1-(2,6-dichlorophenyl)-3-(3,4-dimethylphenyl)-N-methylpropan-2-amine
CID 63415067
1-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
1-(2-chlorophenyl)-N-methyl-2-(4-nitrophenyl)ethanamine
CID 61064826
1-(1-benzothiophen-7-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 81128451

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 63415502) is 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is SNUSDTDMYWFYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-8-9-14(10-13(12)2)11-17(19-3)15-6-4-5-7-16(15)18/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63415502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).