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

C14H21NO — CID 64752586

IUPAC4-[(3,5-dimethylcyclohexyl)amino]phenol
SMILESCC1CC(C)CC(Nc2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)9-13(8-10)15-12-3-5-14(16)6-4-12/h3-6,10-11,13,15-16H,7-9H2,1-2H3
InChIKeyHZXLBXPQADJMRQ-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.63
Rot. Bonds2

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

4-[(3,5-dimethylcyclohexyl)amino]phenol (PubChem CID 64752586) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-[(3,5-dimethylcyclohexyl)amino]phenol.

Molecular Properties

Compound Name4-[(3,5-dimethylcyclohexyl)amino]phenol
PubChem CID64752586
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-[(3,5-dimethylcyclohexyl)amino]phenol
SMILESCC1CC(C)CC(Nc2ccc(O)cc2)C1
InChIInChI=1S/C14H21NO/c1-10-7-11(2)9-13(8-10)15-12-3-5-14(16)6-4-12/h3-6,10-11,13,15-16H,7-9H2,1-2H3
InChIKeyHZXLBXPQADJMRQ-UHFFFAOYSA-N
XLogP3.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.63
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]phenol?
The IUPAC name of 4-[(3,5-dimethylcyclohexyl)amino]phenol (CID 64752586) is 4-[(3,5-dimethylcyclohexyl)amino]phenol.
What is the SMILES notation for 4-[(3,5-dimethylcyclohexyl)amino]phenol?
The canonical SMILES for 4-[(3,5-dimethylcyclohexyl)amino]phenol is CC1CC(C)CC(Nc2ccc(O)cc2)C1.
What is the InChIKey of 4-[(3,5-dimethylcyclohexyl)amino]phenol?
The InChIKey is HZXLBXPQADJMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10-7-11(2)9-13(8-10)15-12-3-5-14(16)6-4-12/h3-6,10-11,13,15-16H,7-9H2,1-2H3.
What are the key properties of 4-[(3,5-dimethylcyclohexyl)amino]phenol?
4-[(3,5-dimethylcyclohexyl)amino]phenol has a molecular weight of 219.33 g/mol, XLogP of 3.63, 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]phenol is sourced from PubChem (CID 64752586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).