2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide

C18H22N2O — CID 81312467

IUPAC2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccccc1CN)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(17-10-8-14(2)9-11-17)18(21)12-15-6-4-5-7-16(15)13-19/h4-11H,3,12-13,19H2,1-2H3
InChIKeySPHKXWARIKPZJZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.05
Rot. Bonds5

About 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide

2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide (PubChem CID 81312467) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
PubChem CID81312467
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide
SMILESCCN(C(=O)Cc1ccccc1CN)c1ccc(C)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(17-10-8-14(2)9-11-17)18(21)12-15-6-4-5-7-16(15)13-19/h4-11H,3,12-13,19H2,1-2H3
InChIKeySPHKXWARIKPZJZ-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide 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-(aminomethyl)phenyl]-N-ethyl-N-(2-fluorophenyl)acetamide
CID 81312468
N-ethyl-2-(2-methylphenyl)-N-phenylacetamide
CID 113098481
N-ethyl-N-(4-methylphenyl)-3-sulfanylpropanamide
CID 107027712
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-4-methylaniline
CID 62003173
2-[2-(aminomethyl)phenyl]-N-butyl-N-ethylacetamide
CID 81317798
2-(2-aminoethoxy)-N-ethyl-N-(4-methylphenyl)acetamide
CID 79479435
2-(2-chlorophenyl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 60592550
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
3-amino-N-(4-bromophenyl)-N-ethylpropanamide
CID 28795394
2-[2-(aminomethyl)phenyl]-N-[2-(diethylamino)-2-oxoethyl]-N-methylacetamide
CID 81312909
3-amino-N-ethyl-N-(4-methylphenyl)-2-phenylpropanamide
CID 62876984
N-(4-aminophenyl)-2-(2-methylphenyl)-N-propylacetamide
CID 63234107

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide (CID 81312467) is 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide is CCN(C(=O)Cc1ccccc1CN)c1ccc(C)cc1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide?
The InChIKey is SPHKXWARIKPZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(17-10-8-14(2)9-11-17)18(21)12-15-6-4-5-7-16(15)13-19/h4-11H,3,12-13,19H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide?
2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide has a molecular weight of 282.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-ethyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 81312467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).