1-(4-aminophenyl)-3-cyclopentylpropan-2-one

C14H19NO — CID 116549551

IUPAC1-(4-aminophenyl)-3-cyclopentylpropan-2-one
SMILESNc1ccc(CC(=O)CC2CCCC2)cc1
InChIInChI=1S/C14H19NO/c15-13-7-5-12(6-8-13)10-14(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10,15H2
InChIKeyBMQNSYXEBRYYAQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.96
Rot. Bonds4

About 1-(4-aminophenyl)-3-cyclopentylpropan-2-one

1-(4-aminophenyl)-3-cyclopentylpropan-2-one (PubChem CID 116549551) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-cyclopentylpropan-2-one.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-cyclopentylpropan-2-one
PubChem CID116549551
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name1-(4-aminophenyl)-3-cyclopentylpropan-2-one
SMILESNc1ccc(CC(=O)CC2CCCC2)cc1
InChIInChI=1S/C14H19NO/c15-13-7-5-12(6-8-13)10-14(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10,15H2
InChIKeyBMQNSYXEBRYYAQ-UHFFFAOYSA-N
XLogP2.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
CID 43370694
cyclohexylmethyl 2-(4-aminophenyl)acetate
CID 61321508
2-(4-aminophenyl)-1-cyclohexylethanone
CID 116549419
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
1-cycloheptyl-3-naphthalen-2-ylpropan-2-one
CID 114458055
1-cyclohexyl-3-(furan-3-yl)propan-2-one
CID 115795908
2-(4-aminophenyl)-N-(3-cyclopentylpropyl)acetamide
CID 103630550
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
2-(4-aminophenyl)-1-cyclopropylethanone
CID 116549622
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
N-[(4-aminophenyl)methyl]-2-cyclobutyl-N-cyclopropylacetamide
CID 103161534
1-(4-iodophenyl)-3-piperidin-3-ylpropan-2-one
CID 116564283

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-cyclopentylpropan-2-one?
The IUPAC name of 1-(4-aminophenyl)-3-cyclopentylpropan-2-one (CID 116549551) is 1-(4-aminophenyl)-3-cyclopentylpropan-2-one.
What is the SMILES notation for 1-(4-aminophenyl)-3-cyclopentylpropan-2-one?
The canonical SMILES for 1-(4-aminophenyl)-3-cyclopentylpropan-2-one is Nc1ccc(CC(=O)CC2CCCC2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-cyclopentylpropan-2-one?
The InChIKey is BMQNSYXEBRYYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c15-13-7-5-12(6-8-13)10-14(16)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10,15H2.
What are the key properties of 1-(4-aminophenyl)-3-cyclopentylpropan-2-one?
1-(4-aminophenyl)-3-cyclopentylpropan-2-one has a molecular weight of 217.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-cyclopentylpropan-2-one is sourced from PubChem (CID 116549551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).