2-(3-aminophenyl)-N-cyclopropylpropanamide

C12H16N2O — CID 106590663

IUPAC2-(3-aminophenyl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1cccc(N)c1
InChIInChI=1S/C12H16N2O/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,13H2,1H3,(H,14,15)
InChIKeyFQCYMAZOMVQVKR-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.65
Rot. Bonds3

About 2-(3-aminophenyl)-N-cyclopropylpropanamide

2-(3-aminophenyl)-N-cyclopropylpropanamide (PubChem CID 106590663) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-cyclopropylpropanamide
PubChem CID106590663
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(3-aminophenyl)-N-cyclopropylpropanamide
SMILESCC(C(=O)NC1CC1)c1cccc(N)c1
InChIInChI=1S/C12H16N2O/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,13H2,1H3,(H,14,15)
InChIKeyFQCYMAZOMVQVKR-UHFFFAOYSA-N
XLogP1.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.65
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-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2-(3-aminophenyl)-N-cyclohex-3-en-1-ylpropanamide
CID 106591567
2-(3-aminophenyl)-N-(2,2-dimethylcyclopropyl)propanamide
CID 106591319
2-(3-bromophenyl)-N-cyclopropylpropanamide
CID 176514290
2-(3-aminophenyl)-N-(3-ethylcyclohexyl)propanamide
CID 106591528
2-(3-aminophenyl)-N-(1-ethylpiperidin-3-yl)propanamide
CID 106591180
2-(3-aminophenyl)-N-(2-methoxycyclopentyl)propanamide
CID 106591347
2-(3-aminophenyl)-N-(3-ethyl-2-methylcyclopentyl)propanamide
CID 106591532
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)sulfinyl-N-cyclopropylpropanamide
CID 81180898

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-cyclopropylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-cyclopropylpropanamide (CID 106590663) is 2-(3-aminophenyl)-N-cyclopropylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-cyclopropylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-cyclopropylpropanamide is CC(C(=O)NC1CC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-cyclopropylpropanamide?
The InChIKey is FQCYMAZOMVQVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(12(15)14-11-5-6-11)9-3-2-4-10(13)7-9/h2-4,7-8,11H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-aminophenyl)-N-cyclopropylpropanamide?
2-(3-aminophenyl)-N-cyclopropylpropanamide has a molecular weight of 204.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-cyclopropylpropanamide is sourced from PubChem (CID 106590663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).