2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one

C18H25NO — CID 82100138

IUPAC2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3
InChIKeyNFZFLEJXFNWSRZ-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.05
Rot. Bonds6

About 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one (PubChem CID 82100138) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
PubChem CID82100138
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3
InChIKeyNFZFLEJXFNWSRZ-UHFFFAOYSA-N
XLogP4.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-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

2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-ethylphenyl)propan-1-one
CID 82100261
2-[2-(cyclohexen-1-yl)ethylamino]-N-(4-methylphenyl)propanamide
CID 60638654
2-[2-(cyclohexen-1-yl)ethylamino]-N-pentan-2-ylpropanamide
CID 60719007
2-[2-(cyclohexen-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115571067
2-(cyclohexen-1-yl)-1-(4-methylphenyl)ethanone
CID 116659602
2-(cyclohexen-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]ethanamine
CID 43766353
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108942886
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-3-methylbutan-2-amine
CID 28620859
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 730729
N-[(2S)-1-[2-(cyclohexen-1-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 24540008
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2233240
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one (CID 82100138) is 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)C(C)NCCC2=CCCCC2)cc1.
What is the InChIKey of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one?
The InChIKey is NFZFLEJXFNWSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-14-8-10-17(11-9-14)18(20)15(2)19-13-12-16-6-4-3-5-7-16/h6,8-11,15,19H,3-5,7,12-13H2,1-2H3.
What are the key properties of 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one?
2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one has a molecular weight of 271.40 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclohexen-1-yl)ethylamino]-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 82100138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).