2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide

C15H22N2O — CID 113474877

IUPAC2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C15H22N2O/c1-11(14-6-7-14)10-17-15(18)8-12-2-4-13(9-16)5-3-12/h2-5,11,14H,6-10,16H2,1H3,(H,17,18)
InChIKeyZBASMFOCYNCWKH-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.85
Rot. Bonds6

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

2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide (PubChem CID 113474877) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
PubChem CID113474877
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide
SMILESCC(CNC(=O)Cc1ccc(CN)cc1)C1CC1
InChIInChI=1S/C15H22N2O/c1-11(14-6-7-14)10-17-15(18)8-12-2-4-13(9-16)5-3-12/h2-5,11,14H,6-10,16H2,1H3,(H,17,18)
InChIKeyZBASMFOCYNCWKH-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)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

N-(2-cyclopropylpropyl)-2-(3-hydroxyphenyl)acetamide
CID 115603624
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
4-(aminomethyl)-N-(2-cyclopropylpropyl)benzenesulfonamide
CID 113475179
N-(2-cyclopropylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 115591226
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
CID 63294554
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
2-(4-aminophenyl)-N-(2-methylpropyl)acetamide
CID 16776382
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-(2-methylpropyl)acetamide
CID 43276217
2-[4-(aminomethyl)phenyl]-N-(2-methylsulfonylethyl)acetamide
CID 63589774
3-amino-N-(2-cyclopropylpropyl)-2-phenylpropanamide
CID 115738526
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide (CID 113474877) is 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide is CC(CNC(=O)Cc1ccc(CN)cc1)C1CC1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide?
The InChIKey is ZBASMFOCYNCWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11(14-6-7-14)10-17-15(18)8-12-2-4-13(9-16)5-3-12/h2-5,11,14H,6-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide?
2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-N-(2-cyclopropylpropyl)acetamide is sourced from PubChem (CID 113474877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).