2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine

C19H24ClN — CID 63523561

IUPAC2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(CC(CNC)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-15-8-10-16(11-9-15)12-17(14-21-2)13-18-6-4-5-7-19(18)20/h4-11,17,21H,3,12-14H2,1-2H3
InChIKeyWAIOOPUEBIJLNT-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.52
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine

2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine (PubChem CID 63523561) has the molecular formula C19H24ClN and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
PubChem CID63523561
Molecular FormulaC19H24ClN
Molecular Weight301.86 g/mol
Exact Mass301.16
IUPAC Name2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine
SMILESCCc1ccc(CC(CNC)Cc2ccccc2Cl)cc1
InChIInChI=1S/C19H24ClN/c1-3-15-8-10-16(11-9-15)12-17(14-21-2)13-18-6-4-5-7-19(18)20/h4-11,17,21H,3,12-14H2,1-2H3
InChIKeyWAIOOPUEBIJLNT-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-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

3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 63523145
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)propan-1-amine
CID 63496346
2-benzyl-3-(2,3-dichlorophenyl)-N-methylpropan-1-amine
CID 107309633
2-[(2-chlorophenyl)methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpropan-1-amine
CID 114348813
2-[(2-chlorophenyl)methyl]-N-methylundecan-1-amine
CID 63521234
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(2-methylphenyl)propan-1-amine
CID 63521754
2-[(2-chloro-3-fluorophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 115984189
2-[(3-chloro-2-fluorophenyl)methyl]-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 102858686
2-[(2-chlorophenyl)methyl]-N-ethyl-3-(3-fluorophenyl)propan-1-amine
CID 63521196
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-N-methylpropan-1-amine
CID 65318235
2-[(4-chlorophenyl)methyl]-3-(2,5-difluorophenyl)-N-methylpropan-1-amine
CID 62516086
2-[(2-bromophenyl)methyl]-3-(4-iodophenyl)-N-methylpropan-1-amine
CID 65490315

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine (CID 63523561) is 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine is CCc1ccc(CC(CNC)Cc2ccccc2Cl)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine?
The InChIKey is WAIOOPUEBIJLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN/c1-3-15-8-10-16(11-9-15)12-17(14-21-2)13-18-6-4-5-7-19(18)20/h4-11,17,21H,3,12-14H2,1-2H3.
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine?
2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine has a molecular weight of 301.86 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-(4-ethylphenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63523561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).