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

C17H20ClN — CID 63414512

IUPAC1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-5-14(10-13(12)2)11-17(19-3)15-6-8-16(18)9-7-15/h4-10,17,19H,11H2,1-3H3
InChIKeyOVPOFXJISKGWCB-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.46
Rot. Bonds4

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

1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (PubChem CID 63414512) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
PubChem CID63414512
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C17H20ClN/c1-12-4-5-14(10-13(12)2)11-17(19-3)15-6-8-16(18)9-7-15/h4-10,17,19H,11H2,1-3H3
InChIKeyOVPOFXJISKGWCB-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-(3-chloro-4-fluorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63418793
2-(3,4-dimethylphenyl)-1-(4-ethoxyphenyl)-N-methylethanamine
CID 62553312
2-(3-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 103039760
4-[2-bromo-2-(4-chlorophenyl)ethyl]-1,2-dimethylbenzene
CID 63437552
1-(2-bromo-4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 107988881
1-(2-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63415502
2-(3,4-dichlorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 63413610
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
1-(2,3-dihydro-1H-inden-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63507191
1-(2-chloro-4,5-dimethylphenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 115483837
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
2-(3,4-dimethylphenyl)-N-methyl-1-(5-methyl-3-pyridinyl)ethanamine
CID 115374488

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine (CID 63414512) is 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is CNC(Cc1ccc(C)c(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
The InChIKey is OVPOFXJISKGWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-12-4-5-14(10-13(12)2)11-17(19-3)15-6-8-16(18)9-7-15/h4-10,17,19H,11H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine?
1-(4-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-(4-chlorophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine is sourced from PubChem (CID 63414512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).