1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine

C17H20ClN — CID 82782672

IUPAC1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-11-5-7-15(12(2)9-11)14-6-8-16(13(3)19-4)17(18)10-14/h5-10,13,19H,1-4H3
InChIKeyFPMWMUKEBLTLFT-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.90
Rot. Bonds3

About 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine

1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine (PubChem CID 82782672) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
PubChem CID82782672
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(-c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C17H20ClN/c1-11-5-7-15(12(2)9-11)14-6-8-16(13(3)19-4)17(18)10-14/h5-10,13,19H,1-4H3
InChIKeyFPMWMUKEBLTLFT-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-4-(2,3,4-trifluorophenyl)phenyl]-N-methylethanamine
CID 82781900
1-[2-chloro-4-(3-fluoro-4-methylphenyl)phenyl]-N-methylethanamine
CID 82783166
1-[2-chloro-4-(3,5-dichlorophenyl)phenyl]-N-methylethanamine
CID 114879159
1-[4-(4-bromophenyl)-2-chlorophenyl]-N-methylethanamine
CID 82783154
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
1-[2-chloro-4-(4-fluoro-2-methylphenyl)phenyl]-N-ethylethanamine
CID 82783028
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
CID 129016588
1-[2-chloro-4-(2,3-dihydro-1-benzofuran-7-yl)phenyl]-N-methylethanamine
CID 114746573
1-[2-chloro-4-(2,4,6-trimethylphenyl)phenyl]-N-ethylethanamine
CID 82772280
1-[2-chloro-4-(3-methyl-1-propylpyrazol-4-yl)phenyl]-N-methylethanamine
CID 82778974
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine (CID 82782672) is 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(-c2ccc(C)cc2C)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine?
The InChIKey is FPMWMUKEBLTLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-5-7-15(12(2)9-11)14-6-8-16(13(3)19-4)17(18)10-14/h5-10,13,19H,1-4H3.
What are the key properties of 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine?
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine has a molecular weight of 273.81 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 82782672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).