1-(azepan-1-yl)-2-phenoxyethanol

C14H21NO2 — CID 70421619

IUPAC1-(azepan-1-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H21NO2/c16-14(15-10-6-1-2-7-11-15)12-17-13-8-4-3-5-9-13/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyCOHHTTOFWINMBV-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.26
Rot. Bonds4

About 1-(azepan-1-yl)-2-phenoxyethanol

1-(azepan-1-yl)-2-phenoxyethanol (PubChem CID 70421619) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-phenoxyethanol.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-phenoxyethanol
PubChem CID70421619
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(azepan-1-yl)-2-phenoxyethanol
SMILESOC(COc1ccccc1)N1CCCCCC1
InChIInChI=1S/C14H21NO2/c16-14(15-10-6-1-2-7-11-15)12-17-13-8-4-3-5-9-13/h3-5,8-9,14,16H,1-2,6-7,10-12H2
InChIKeyCOHHTTOFWINMBV-UHFFFAOYSA-N
XLogP2.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenoxy-1-phenylethyl)pyrrolidine chloride
CID 21228853
2-phenyl-1-pyrrolidin-1-ylethanol;hydrochloride
CID 70255948
2-[(2-hydroxy-3-phenoxypropyl)amino]-1-piperidin-1-ylethanone
CID 115582050
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
2-(phenoxymethyl)propane-1,1,3,3-tetrol
CID 173269975
(2R)-1-phenoxybut-3-yn-2-ol
CID 11094952
(2S)-1-[(2R)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423161
(2S)-1-[(2S)-2-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 51423190
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
1-[3-(azepan-1-yl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111108788
3-phenoxypropane-1,2-diol
CID 10857
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-phenoxyethanol?
The IUPAC name of 1-(azepan-1-yl)-2-phenoxyethanol (CID 70421619) is 1-(azepan-1-yl)-2-phenoxyethanol.
What is the SMILES notation for 1-(azepan-1-yl)-2-phenoxyethanol?
The canonical SMILES for 1-(azepan-1-yl)-2-phenoxyethanol is OC(COc1ccccc1)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-phenoxyethanol?
The InChIKey is COHHTTOFWINMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14(15-10-6-1-2-7-11-15)12-17-13-8-4-3-5-9-13/h3-5,8-9,14,16H,1-2,6-7,10-12H2.
What are the key properties of 1-(azepan-1-yl)-2-phenoxyethanol?
1-(azepan-1-yl)-2-phenoxyethanol has a molecular weight of 235.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-phenoxyethanol is sourced from PubChem (CID 70421619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).