2-[1-(2-phenylethylamino)cyclohexyl]ethanol

C16H25NO — CID 71857059

IUPAC2-[1-(2-phenylethylamino)cyclohexyl]ethanol
SMILESOCCC1(NCCc2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c18-14-12-16(10-5-2-6-11-16)17-13-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2
InChIKeyJQXGOAGLWRXTQA-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.90
Rot. Bonds6

About 2-[1-(2-phenylethylamino)cyclohexyl]ethanol

2-[1-(2-phenylethylamino)cyclohexyl]ethanol (PubChem CID 71857059) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-[1-(2-phenylethylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[1-(2-phenylethylamino)cyclohexyl]ethanol
PubChem CID71857059
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-[1-(2-phenylethylamino)cyclohexyl]ethanol
SMILESOCCC1(NCCc2ccccc2)CCCCC1
InChIInChI=1S/C16H25NO/c18-14-12-16(10-5-2-6-11-16)17-13-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2
InChIKeyJQXGOAGLWRXTQA-UHFFFAOYSA-N
XLogP2.90
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethylamino)cyclohexyl]ethanol?
The IUPAC name of 2-[1-(2-phenylethylamino)cyclohexyl]ethanol (CID 71857059) is 2-[1-(2-phenylethylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-[1-(2-phenylethylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-[1-(2-phenylethylamino)cyclohexyl]ethanol is OCCC1(NCCc2ccccc2)CCCCC1.
What is the InChIKey of 2-[1-(2-phenylethylamino)cyclohexyl]ethanol?
The InChIKey is JQXGOAGLWRXTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c18-14-12-16(10-5-2-6-11-16)17-13-9-15-7-3-1-4-8-15/h1,3-4,7-8,17-18H,2,5-6,9-14H2.
What are the key properties of 2-[1-(2-phenylethylamino)cyclohexyl]ethanol?
2-[1-(2-phenylethylamino)cyclohexyl]ethanol has a molecular weight of 247.38 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethylamino)cyclohexyl]ethanol is sourced from PubChem (CID 71857059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).