2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol

C14H19NO — CID 112554896

IUPAC2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNC2CC=CCC2)c1O
InChIInChI=1S/C14H19NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-3,5-7,13,15-16H,4,8-10H2,1H3
InChIKeyJGEQPMFNVIOGRB-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.90
Rot. Bonds3

About 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol

2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol (PubChem CID 112554896) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
PubChem CID112554896
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol
SMILESCc1cccc(CNC2CC=CCC2)c1O
InChIInChI=1S/C14H19NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-3,5-7,13,15-16H,4,8-10H2,1H3
InChIKeyJGEQPMFNVIOGRB-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol 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-methyl-6-[[(4-methylcycloheptyl)amino]methyl]phenol
CID 102809836
2-methyl-6-[[(3-methylcyclobutyl)amino]methyl]phenol
CID 115908013
2-[[(1-tert-butylpiperidin-4-yl)amino]methyl]-6-methylphenol
CID 115904880
2-[[[(1R,2R)-2-[(2-hydroxy-3-methylphenyl)methylamino]cyclohexyl]amino]methyl]-6-methylphenol
CID 90329687
N-[(3-chloro-2-fluorophenyl)methyl]cyclohex-3-en-1-amine
CID 115696005
2-chloro-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115908319
2-bromo-6-[(cyclopent-3-en-1-ylamino)methyl]phenol
CID 115696332
N-[(2-cyclopropylphenyl)methyl]cyclohex-3-en-1-amine
CID 79889980
2-[[(2,2-diethyloxan-4-yl)amino]methyl]-6-methylphenol
CID 115908814
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]-6-methylphenol
CID 113355725

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol?
The IUPAC name of 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol (CID 112554896) is 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol.
What is the SMILES notation for 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol?
The canonical SMILES for 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol is Cc1cccc(CNC2CC=CCC2)c1O.
What is the InChIKey of 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol?
The InChIKey is JGEQPMFNVIOGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-11-6-5-7-12(14(11)16)10-15-13-8-3-2-4-9-13/h2-3,5-7,13,15-16H,4,8-10H2,1H3.
What are the key properties of 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol?
2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol has a molecular weight of 217.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclohex-3-en-1-ylamino)methyl]-6-methylphenol is sourced from PubChem (CID 112554896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).