4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol

C15H23NO — CID 64750853

IUPAC4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H23NO/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17)9-12(15)3/h4-5,9-11,13,16-17H,6-8H2,1-3H3
InChIKeyLFJZXDZQUZPECQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.94
Rot. Bonds2

About 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol

4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol (PubChem CID 64750853) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
PubChem CID64750853
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1NC1CC(C)CC(C)C1
InChIInChI=1S/C15H23NO/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17)9-12(15)3/h4-5,9-11,13,16-17H,6-8H2,1-3H3
InChIKeyLFJZXDZQUZPECQ-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol (CID 64750853) is 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol is Cc1cc(O)ccc1NC1CC(C)CC(C)C1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol?
The InChIKey is LFJZXDZQUZPECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10-6-11(2)8-13(7-10)16-15-5-4-14(17)9-12(15)3/h4-5,9-11,13,16-17H,6-8H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol?
4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol has a molecular weight of 233.35 g/mol, XLogP of 3.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylcyclohexyl)amino]-3-methylphenol is sourced from PubChem (CID 64750853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).