2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol

C17H27NO — CID 65235269

IUPAC2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
SMILESCCCNC1(CCO)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-2-13-18-17(12-14-19)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3
InChIKeyFMCUYZISLDIECG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.46
Rot. Bonds6

About 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol

2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol (PubChem CID 65235269) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
PubChem CID65235269
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
SMILESCCCNC1(CCO)CCC(c2ccccc2)CC1
InChIInChI=1S/C17H27NO/c1-2-13-18-17(12-14-19)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3
InChIKeyFMCUYZISLDIECG-UHFFFAOYSA-N
XLogP3.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol?
The IUPAC name of 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol (CID 65235269) is 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol is CCCNC1(CCO)CCC(c2ccccc2)CC1.
What is the InChIKey of 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol?
The InChIKey is FMCUYZISLDIECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-13-18-17(12-14-19)10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,16,18-19H,2,8-14H2,1H3.
What are the key properties of 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol?
2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol is sourced from PubChem (CID 65235269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).