2-[1-(4-aminophenyl)cyclopropyl]propanamide

C12H16N2O — CID 153406658

IUPAC2-[1-(4-aminophenyl)cyclopropyl]propanamide
SMILESCC(C(N)=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H16N2O/c1-8(11(14)15)12(6-7-12)9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3,(H2,14,15)
InChIKeyBMOCDTCHHXMSEF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.42
Rot. Bonds3

About 2-[1-(4-aminophenyl)cyclopropyl]propanamide

2-[1-(4-aminophenyl)cyclopropyl]propanamide (PubChem CID 153406658) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-(4-aminophenyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name2-[1-(4-aminophenyl)cyclopropyl]propanamide
PubChem CID153406658
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-[1-(4-aminophenyl)cyclopropyl]propanamide
SMILESCC(C(N)=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C12H16N2O/c1-8(11(14)15)12(6-7-12)9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3,(H2,14,15)
InChIKeyBMOCDTCHHXMSEF-UHFFFAOYSA-N
XLogP1.42
TPSA69.11 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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-aminophenyl)cyclopropyl]propanamide?
The IUPAC name of 2-[1-(4-aminophenyl)cyclopropyl]propanamide (CID 153406658) is 2-[1-(4-aminophenyl)cyclopropyl]propanamide.
What is the SMILES notation for 2-[1-(4-aminophenyl)cyclopropyl]propanamide?
The canonical SMILES for 2-[1-(4-aminophenyl)cyclopropyl]propanamide is CC(C(N)=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 2-[1-(4-aminophenyl)cyclopropyl]propanamide?
The InChIKey is BMOCDTCHHXMSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8(11(14)15)12(6-7-12)9-2-4-10(13)5-3-9/h2-5,8H,6-7,13H2,1H3,(H2,14,15).
What are the key properties of 2-[1-(4-aminophenyl)cyclopropyl]propanamide?
2-[1-(4-aminophenyl)cyclopropyl]propanamide has a molecular weight of 204.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-aminophenyl)cyclopropyl]propanamide is sourced from PubChem (CID 153406658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).