2-amino-4-cyclohexylphenol

C12H17NO — CID 3679277

IUPAC2-amino-4-cyclohexylphenol
SMILESNc1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C12H17NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2
InChIKeyLGIWCQVLZIYRAR-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.02
Rot. Bonds1

About 2-amino-4-cyclohexylphenol

2-amino-4-cyclohexylphenol (PubChem CID 3679277) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-amino-4-cyclohexylphenol.

Molecular Properties

Compound Name2-amino-4-cyclohexylphenol
PubChem CID3679277
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-amino-4-cyclohexylphenol
SMILESNc1cc(C2CCCCC2)ccc1O
InChIInChI=1S/C12H17NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2
InChIKeyLGIWCQVLZIYRAR-UHFFFAOYSA-N
XLogP3.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexylphenol?
The IUPAC name of 2-amino-4-cyclohexylphenol (CID 3679277) is 2-amino-4-cyclohexylphenol.
What is the SMILES notation for 2-amino-4-cyclohexylphenol?
The canonical SMILES for 2-amino-4-cyclohexylphenol is Nc1cc(C2CCCCC2)ccc1O.
What is the InChIKey of 2-amino-4-cyclohexylphenol?
The InChIKey is LGIWCQVLZIYRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h6-9,14H,1-5,13H2.
What are the key properties of 2-amino-4-cyclohexylphenol?
2-amino-4-cyclohexylphenol has a molecular weight of 191.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexylphenol is sourced from PubChem (CID 3679277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).