2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol

C15H23NO2 — CID 54994680

IUPAC2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
SMILESOCCN(c1ccccc1CO)C1CCCCC1
InChIInChI=1S/C15H23NO2/c17-11-10-16(14-7-2-1-3-8-14)15-9-5-4-6-13(15)12-18/h4-6,9,14,17-18H,1-3,7-8,10-12H2
InChIKeyYRKORKRKWBGFFH-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.31
Rot. Bonds5

About 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol

2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol (PubChem CID 54994680) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol.

Molecular Properties

Compound Name2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
PubChem CID54994680
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol
SMILESOCCN(c1ccccc1CO)C1CCCCC1
InChIInChI=1S/C15H23NO2/c17-11-10-16(14-7-2-1-3-8-14)15-9-5-4-6-13(15)12-18/h4-6,9,14,17-18H,1-3,7-8,10-12H2
InChIKeyYRKORKRKWBGFFH-UHFFFAOYSA-N
XLogP2.31
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol?
The IUPAC name of 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol (CID 54994680) is 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol.
What is the SMILES notation for 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol?
The canonical SMILES for 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol is OCCN(c1ccccc1CO)C1CCCCC1.
What is the InChIKey of 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol?
The InChIKey is YRKORKRKWBGFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-11-10-16(14-7-2-1-3-8-14)15-9-5-4-6-13(15)12-18/h4-6,9,14,17-18H,1-3,7-8,10-12H2.
What are the key properties of 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol?
2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-cyclohexyl-2-(hydroxymethyl)anilino]ethanol is sourced from PubChem (CID 54994680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).