2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

C13H18N2O2 — CID 113313079

IUPAC2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESNc1ccccc1CC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H18N2O2/c14-11-4-2-1-3-10(11)7-12(17)15-8-13(9-16)5-6-13/h1-4,16H,5-9,14H2,(H,15,17)
InChIKeyYWROSRXGIIGGLR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.70
Rot. Bonds5

About 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 113313079) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
PubChem CID113313079
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESNc1ccccc1CC(=O)NCC1(CO)CC1
InChIInChI=1S/C13H18N2O2/c14-11-4-2-1-3-10(11)7-12(17)15-8-13(9-16)5-6-13/h1-4,16H,5-9,14H2,(H,15,17)
InChIKeyYWROSRXGIIGGLR-UHFFFAOYSA-N
XLogP0.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]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-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
2-(2-aminophenyl)-N-[1-(hydroxymethyl)cyclohexyl]acetamide
CID 62526209
2-(2,6-dichlorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80711817
2-(3-aminophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]acetamide
CID 103965193
2-[1-[[3-(2-aminophenyl)propanoylamino]methyl]cyclobutyl]acetic acid
CID 107273261
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 16791289
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylacetamide
CID 114757977
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-phenylmethoxyacetamide
CID 80711828
(2R)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433594
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-(2-chlorophenyl)acetamide
CID 114757833
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-phenylpropanamide
CID 81433068

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (CID 113313079) is 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is Nc1ccccc1CC(=O)NCC1(CO)CC1.
What is the InChIKey of 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is YWROSRXGIIGGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c14-11-4-2-1-3-10(11)7-12(17)15-8-13(9-16)5-6-13/h1-4,16H,5-9,14H2,(H,15,17).
What are the key properties of 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 113313079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).