2-amino-1-(3-cyclohexyloxyphenyl)ethanol

C14H21NO2 — CID 83824323

IUPAC2-amino-1-(3-cyclohexyloxyphenyl)ethanol
SMILESNCC(O)c1cccc(OC2CCCCC2)c1
InChIInChI=1S/C14H21NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10,15H2
InChIKeyBQNNZQLYISKGGL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-1-(3-cyclohexyloxyphenyl)ethanol

2-amino-1-(3-cyclohexyloxyphenyl)ethanol (PubChem CID 83824323) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-(3-cyclohexyloxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-cyclohexyloxyphenyl)ethanol
PubChem CID83824323
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-(3-cyclohexyloxyphenyl)ethanol
SMILESNCC(O)c1cccc(OC2CCCCC2)c1
InChIInChI=1S/C14H21NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10,15H2
InChIKeyBQNNZQLYISKGGL-UHFFFAOYSA-N
XLogP2.39
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
CID 66513071
3-(3-cyclobutyloxyphenyl)butan-1-amine
CID 117313284
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
1-(3-cyclopropyloxyphenyl)-2-(4-methylphenyl)ethanol
CID 114521316
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-cyclopropyloxyphenyl)-4-ethoxybutan-1-ol
CID 105131562
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
(1S,2S)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propane-1,2-diol
CID 58027593

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-cyclohexyloxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-cyclohexyloxyphenyl)ethanol (CID 83824323) is 2-amino-1-(3-cyclohexyloxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-cyclohexyloxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-cyclohexyloxyphenyl)ethanol is NCC(O)c1cccc(OC2CCCCC2)c1.
What is the InChIKey of 2-amino-1-(3-cyclohexyloxyphenyl)ethanol?
The InChIKey is BQNNZQLYISKGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c15-10-14(16)11-5-4-8-13(9-11)17-12-6-2-1-3-7-12/h4-5,8-9,12,14,16H,1-3,6-7,10,15H2.
What are the key properties of 2-amino-1-(3-cyclohexyloxyphenyl)ethanol?
2-amino-1-(3-cyclohexyloxyphenyl)ethanol has a molecular weight of 235.33 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-cyclohexyloxyphenyl)ethanol is sourced from PubChem (CID 83824323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).