[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone

C15H19NO2 — CID 107138502

IUPAC[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone
SMILESNc1ccc(C2(C(=O)C3CCCOC3)CC2)cc1
InChIInChI=1S/C15H19NO2/c16-13-5-3-12(4-6-13)15(7-8-15)14(17)11-2-1-9-18-10-11/h3-6,11H,1-2,7-10,16H2
InChIKeyIIBCIANTXWMTJW-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.30
Rot. Bonds3

About [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone

[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone (PubChem CID 107138502) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone
PubChem CID107138502
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone
SMILESNc1ccc(C2(C(=O)C3CCCOC3)CC2)cc1
InChIInChI=1S/C15H19NO2/c16-13-5-3-12(4-6-13)15(7-8-15)14(17)11-2-1-9-18-10-11/h3-6,11H,1-2,7-10,16H2
InChIKeyIIBCIANTXWMTJW-UHFFFAOYSA-N
XLogP2.30
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone?
The IUPAC name of [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone (CID 107138502) is [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone.
What is the SMILES notation for [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone?
The canonical SMILES for [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone is Nc1ccc(C2(C(=O)C3CCCOC3)CC2)cc1.
What is the InChIKey of [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone?
The InChIKey is IIBCIANTXWMTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c16-13-5-3-12(4-6-13)15(7-8-15)14(17)11-2-1-9-18-10-11/h3-6,11H,1-2,7-10,16H2.
What are the key properties of [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone?
[1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone has a molecular weight of 245.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminophenyl)cyclopropyl]-(oxan-3-yl)methanone is sourced from PubChem (CID 107138502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).