2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide

C12H16N2O — CID 16791289

IUPAC2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCC1CC1
InChIInChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)7-12(15)14-8-9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeySFIMBCYYNMXDAE-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.34
Rot. Bonds4

About 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide

2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide (PubChem CID 16791289) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
PubChem CID16791289
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide
SMILESNc1ccccc1CC(=O)NCC1CC1
InChIInChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)7-12(15)14-8-9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15)
InChIKeySFIMBCYYNMXDAE-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106119007
2-(2-aminophenyl)-N-(3-cyclopropylpropyl)acetamide
CID 115753474
2-[2-(aminomethyl)phenyl]-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106135698
N-[(4-chlorocyclohexyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 106133730
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
2-(2-aminophenyl)-N-(oxan-2-ylmethyl)acetamide
CID 55014268
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
methyl 2-[[2-(2-aminophenyl)acetyl]amino]acetate
CID 16773515
N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
2-(2-hydroxyphenyl)-N-(thian-4-ylmethyl)acetamide
CID 115626238
N-[(4-bromocyclohexyl)methyl]-2-phenylacetamide
CID 106134234
2-[2-(aminomethyl)phenyl]-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107413174

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide (CID 16791289) is 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide is Nc1ccccc1CC(=O)NCC1CC1.
What is the InChIKey of 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is SFIMBCYYNMXDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-11-4-2-1-3-10(11)7-12(15)14-8-9-5-6-9/h1-4,9H,5-8,13H2,(H,14,15).
What are the key properties of 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide?
2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 16791289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).