2-(cyclohexylamino)phenol

C12H17NO — CID 4313215

IUPAC2-(cyclohexylamino)phenol
SMILESOc1ccccc1NC1CCCCC1
InChIInChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyNQTSBOHCYASAMX-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.14
Rot. Bonds2

About 2-(cyclohexylamino)phenol

2-(cyclohexylamino)phenol (PubChem CID 4313215) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(cyclohexylamino)phenol.

Molecular Properties

Compound Name2-(cyclohexylamino)phenol
PubChem CID4313215
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(cyclohexylamino)phenol
SMILESOc1ccccc1NC1CCCCC1
InChIInChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2
InChIKeyNQTSBOHCYASAMX-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)phenol?
The IUPAC name of 2-(cyclohexylamino)phenol (CID 4313215) is 2-(cyclohexylamino)phenol.
What is the SMILES notation for 2-(cyclohexylamino)phenol?
The canonical SMILES for 2-(cyclohexylamino)phenol is Oc1ccccc1NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)phenol?
The InChIKey is NQTSBOHCYASAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-9-5-4-8-11(12)13-10-6-2-1-3-7-10/h4-5,8-10,13-14H,1-3,6-7H2.
What are the key properties of 2-(cyclohexylamino)phenol?
2-(cyclohexylamino)phenol has a molecular weight of 191.27 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)phenol is sourced from PubChem (CID 4313215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).