2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol

C14H21NO2 — CID 63183129

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
SMILESOCC(NC1CCCCC1O)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)17/h1-3,6-7,12-17H,4-5,8-10H2
InChIKeyGVWBFJQPUNMUDD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.61
Rot. Bonds4

About 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol

2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol (PubChem CID 63183129) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
PubChem CID63183129
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
SMILESOCC(NC1CCCCC1O)c1ccccc1
InChIInChI=1S/C14H21NO2/c16-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)17/h1-3,6-7,12-17H,4-5,8-10H2
InChIKeyGVWBFJQPUNMUDD-UHFFFAOYSA-N
XLogP1.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-[[(1R)-2-methylsulfanyl-1-phenylethyl]amino]cyclohexan-1-ol
CID 99718092
2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759908
(2S)-2-phenyl-2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 107862308
2-[(2-hydroxy-1-phenylethyl)amino]cycloheptane-1-carbonitrile
CID 55159617
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
trans-(1S,2S)-2-(benzhydrylamino)cyclopentan-1-ol
CID 102733078
(2S)-2-[(2-methylsulfonylcyclopentyl)amino]-2-phenylethanol
CID 103913967
2-(2-bicyclo[2.2.1]heptanylamino)-2-phenylethanol
CID 63182183
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
[2-(1-phenylpropylamino)cyclohexyl]methanol
CID 113261894
2-[1-(3-chlorophenyl)propylamino]cyclohexan-1-ol
CID 62365100

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol (CID 63183129) is 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol is OCC(NC1CCCCC1O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol?
The InChIKey is GVWBFJQPUNMUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-13(11-6-2-1-3-7-11)15-12-8-4-5-9-14(12)17/h1-3,6-7,12-17H,4-5,8-10H2.
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol?
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 63183129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).