1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol

C16H25NO2 — CID 65077660

IUPAC1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
SMILESCCN1CCCC(O)(Cc2ccccc2OC)CC1
InChIInChI=1S/C16H25NO2/c1-3-17-11-6-9-16(18,10-12-17)13-14-7-4-5-8-15(14)19-2/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyCWLGXGHKIDISQV-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.47
Rot. Bonds4

About 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol

1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol (PubChem CID 65077660) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol.

Molecular Properties

Compound Name1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
PubChem CID65077660
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol
SMILESCCN1CCCC(O)(Cc2ccccc2OC)CC1
InChIInChI=1S/C16H25NO2/c1-3-17-11-6-9-16(18,10-12-17)13-14-7-4-5-8-15(14)19-2/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyCWLGXGHKIDISQV-UHFFFAOYSA-N
XLogP2.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077702
1-ethyl-4-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol
CID 62161513
4-[(2-bromo-5-methoxyphenyl)methyl]-1-ethylpiperidin-4-ol
CID 65327796
4-[(4-chloro-2-fluorophenyl)methyl]-1-ethylazepan-4-ol
CID 114852276
4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 65147067
4-[(3-bromophenyl)methyl]-1-ethylazepan-4-ol
CID 65077307
(4R)-1-[(2,3-dimethoxyphenyl)methyl]-4-[(dimethylamino)methyl]azepan-4-ol
CID 95730390
(4R)-4-(hydroxymethyl)-1-[3-(2-methoxyphenoxy)propyl]azepan-4-ol
CID 95707159
4-[(5-chlorothiophen-2-yl)methyl]-1-ethylazepan-4-ol
CID 65153829
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
N-[(1-ethylpyrazol-4-yl)methyl]-4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 126813118
1-ethyl-4-[(1-methylpyrazol-3-yl)methyl]azepan-4-ol
CID 82869205

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol?
The IUPAC name of 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol (CID 65077660) is 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol.
What is the SMILES notation for 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol?
The canonical SMILES for 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol is CCN1CCCC(O)(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol?
The InChIKey is CWLGXGHKIDISQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-17-11-6-9-16(18,10-12-17)13-14-7-4-5-8-15(14)19-2/h4-5,7-8,18H,3,6,9-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol?
1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2-methoxyphenyl)methyl]azepan-4-ol is sourced from PubChem (CID 65077660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).