(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine

C13H17N — CID 155107146

IUPAC(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
SMILESCc1ccc(C2C=C[C@@H](N)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1
InChIKeyQFJHIZAVOCQQGC-ZGTCLIOFSA-N
MW187.29 g/mol
LogP2.76
Rot. Bonds1

About (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine

(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine (PubChem CID 155107146) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound Name(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
PubChem CID155107146
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine
SMILESCc1ccc(C2C=C[C@@H](N)CC2)cc1
InChIInChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1
InChIKeyQFJHIZAVOCQQGC-ZGTCLIOFSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine 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-methyl-4-(4-methylcyclohex-2-en-1-yl)benzene
CID 23561398
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
1-methyl-4-[4-[4-[2-(4-propylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohex-2-en-1-yl]benzene
CID 123854341
1-cyclohexa-2,4-dien-1-yl-4-methylbenzene
CID 13139021
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
4-(4-methylphenyl)-3,4-dihydropyridine
CID 89391273
3-(4-methylphenyl)-2,3-dihydrothiophene 1,1-dioxide
CID 15269792
(2S,3R)-2-(4-methylphenyl)oxan-3-amine
CID 95757199

Frequently Asked Questions

What is the IUPAC name of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The IUPAC name of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine (CID 155107146) is (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine.
What is the SMILES notation for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The canonical SMILES for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine is Cc1ccc(C2C=C[C@@H](N)CC2)cc1.
What is the InChIKey of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
The InChIKey is QFJHIZAVOCQQGC-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H17N/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-6,8,12-13H,7,9,14H2,1H3/t12?,13-/m1/s1.
What are the key properties of (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine?
(1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-(4-methylphenyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 155107146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).