3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol

C17H27NO — CID 104692074

IUPAC3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
SMILESCCC1CCCCCN1CCC(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-16-11-7-4-8-13-18(16)14-12-17(19)15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3
InChIKeyCJULZZQYUPZQNE-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.76
Rot. Bonds5

About 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol

3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol (PubChem CID 104692074) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
PubChem CID104692074
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol
SMILESCCC1CCCCCN1CCC(O)c1ccccc1
InChIInChI=1S/C17H27NO/c1-2-16-11-7-4-8-13-18(16)14-12-17(19)15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3
InChIKeyCJULZZQYUPZQNE-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(hydroxymethyl)piperidin-1-yl]-1-phenylpropan-1-ol
CID 62612282
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-amine
CID 104690312
1-(4-bromophenyl)-3-(2-ethylpyrrolidin-1-yl)propan-1-ol
CID 62619666
1-(3,4-dimethylphenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82073504
3-(2-ethylpiperidin-1-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 82073755
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
N-[2-(2-ethylpiperidin-1-yl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111464659
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
1-(4-fluorophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-ol
CID 116638257
3-[2-(2-hydroxy-2-phenylethyl)azepan-1-yl]propanoic acid;hydrochloride
CID 119934761
3-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 62619330
1-(2,5-difluorophenyl)-3-(2-ethylpiperidin-1-yl)propan-1-ol
CID 82074393

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol?
The IUPAC name of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol (CID 104692074) is 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol?
The canonical SMILES for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol is CCC1CCCCCN1CCC(O)c1ccccc1.
What is the InChIKey of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol?
The InChIKey is CJULZZQYUPZQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-16-11-7-4-8-13-18(16)14-12-17(19)15-9-5-3-6-10-15/h3,5-6,9-10,16-17,19H,2,4,7-8,11-14H2,1H3.
What are the key properties of 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol?
3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylazepan-1-yl)-1-phenylpropan-1-ol is sourced from PubChem (CID 104692074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).