2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine

C19H24ClN — CID 79436038

IUPAC2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)cc(C)c1)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-13-17(18-7-5-6-8-19(18)20)12-16-10-14(2)9-15(3)11-16/h5-11,17,21H,4,12-13H2,1-3H3
InChIKeyUKUSIFKFOVVCPN-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.89
Rot. Bonds6

About 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine

2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine (PubChem CID 79436038) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
PubChem CID79436038
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
SMILESCCNCC(Cc1cc(C)cc(C)c1)c1ccccc1Cl
InChIInChI=1S/C19H24ClN/c1-4-21-13-17(18-7-5-6-8-19(18)20)12-16-10-14(2)9-15(3)11-16/h5-11,17,21H,4,12-13H2,1-3H3
InChIKeyUKUSIFKFOVVCPN-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine 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

2-(2-chlorophenyl)-N-ethyl-3-(3-methoxyphenyl)propan-1-amine
CID 79436045
2-(2-chlorophenyl)-3-(2,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436036
2-(2-chlorophenyl)-3-(2,5-dimethylpyrazol-3-yl)-N-ethylpropan-1-amine
CID 79449422
2-(2-chlorophenyl)-N-ethyl-4-methylsulfonylbutan-1-amine
CID 79449274
2-(2-chlorophenyl)-3-(3-chlorophenyl)-N-propylpropan-1-amine
CID 79436816
2-(2-bromophenyl)-3-(3,4-dichlorophenyl)-N-ethylpropan-1-amine
CID 79436750
3-(5-bromo-2-fluorophenyl)-2-(2-chlorophenyl)-N-ethylpropan-1-amine
CID 79435741
2-(2-chlorophenyl)-N-ethyl-3-phenylmethoxypropan-1-amine
CID 102940598
2-(2-chlorophenyl)-N-ethyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine
CID 112591597
3-(3,4-dimethylphenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 79423679
N-ethyl-3-(3-fluorophenyl)-2-(2-methylphenyl)propan-1-amine
CID 79420915
2-(2-chlorophenyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 79436263

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine (CID 79436038) is 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine is CCNCC(Cc1cc(C)cc(C)c1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine?
The InChIKey is UKUSIFKFOVVCPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-4-21-13-17(18-7-5-6-8-19(18)20)12-16-10-14(2)9-15(3)11-16/h5-11,17,21H,4,12-13H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine?
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine is sourced from PubChem (CID 79436038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).