2-[4-(1-cyclohexylethylamino)phenyl]ethanol

C16H25NO — CID 61239115

IUPAC2-[4-(1-cyclohexylethylamino)phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(15-5-3-2-4-6-15)17-16-9-7-14(8-10-16)11-12-18/h7-10,13,15,17-18H,2-6,11-12H2,1H3
InChIKeyNQXNSFRCUBEOQB-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds5

About 2-[4-(1-cyclohexylethylamino)phenyl]ethanol

2-[4-(1-cyclohexylethylamino)phenyl]ethanol (PubChem CID 61239115) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[4-(1-cyclohexylethylamino)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(1-cyclohexylethylamino)phenyl]ethanol
PubChem CID61239115
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[4-(1-cyclohexylethylamino)phenyl]ethanol
SMILESCC(Nc1ccc(CCO)cc1)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-13(15-5-3-2-4-6-15)17-16-9-7-14(8-10-16)11-12-18/h7-10,13,15,17-18H,2-6,11-12H2,1H3
InChIKeyNQXNSFRCUBEOQB-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyclohexylethylamino)phenyl]ethanol?
The IUPAC name of 2-[4-(1-cyclohexylethylamino)phenyl]ethanol (CID 61239115) is 2-[4-(1-cyclohexylethylamino)phenyl]ethanol.
What is the SMILES notation for 2-[4-(1-cyclohexylethylamino)phenyl]ethanol?
The canonical SMILES for 2-[4-(1-cyclohexylethylamino)phenyl]ethanol is CC(Nc1ccc(CCO)cc1)C1CCCCC1.
What is the InChIKey of 2-[4-(1-cyclohexylethylamino)phenyl]ethanol?
The InChIKey is NQXNSFRCUBEOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13(15-5-3-2-4-6-15)17-16-9-7-14(8-10-16)11-12-18/h7-10,13,15,17-18H,2-6,11-12H2,1H3.
What are the key properties of 2-[4-(1-cyclohexylethylamino)phenyl]ethanol?
2-[4-(1-cyclohexylethylamino)phenyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyclohexylethylamino)phenyl]ethanol is sourced from PubChem (CID 61239115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).