1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one

C15H21NO — CID 116611814

IUPAC1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21NO/c1-3-11(4-2)14(17)15(9-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyPASHOYJTMHDHDT-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.31
Rot. Bonds5

About 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one

1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one (PubChem CID 116611814) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one.

Molecular Properties

Compound Name1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
PubChem CID116611814
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one
SMILESCCC(CC)C(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C15H21NO/c1-3-11(4-2)14(17)15(9-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyPASHOYJTMHDHDT-UHFFFAOYSA-N
XLogP3.31
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-N-(3-methylpentan-2-yl)cyclopropane-1-carboxamide
CID 112558324
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
1-(4-aminophenyl)-N-(1-cyanobutan-2-yl)cyclopropane-1-carboxamide
CID 112558350
1-[1-(4-aminophenyl)cyclopropyl]-3,5-dimethylhexan-1-one
CID 114201621
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
2-[1-(4-aminophenyl)cyclobutyl]butanoic acid
CID 91543676
1-(4-aminophenyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 103109008
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-cyclohexyl-N-ethylcyclopropane-1-carboxamide
CID 115913190
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 103930588
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]hexanoic acid
CID 115913511

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one?
The IUPAC name of 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one (CID 116611814) is 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one.
What is the SMILES notation for 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one?
The canonical SMILES for 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one is CCC(CC)C(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one?
The InChIKey is PASHOYJTMHDHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-11(4-2)14(17)15(9-10-15)12-5-7-13(16)8-6-12/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one?
1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-aminophenyl)cyclopropyl]-2-ethylbutan-1-one is sourced from PubChem (CID 116611814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).