1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol

C16H25NO2 — CID 107408415

IUPAC1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
SMILESCCOc1ccccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H25NO2/c1-3-19-15-8-5-4-7-14(15)13-17-11-6-9-16(2,18)10-12-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyJKNOTNGUSUVMFL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.82
Rot. Bonds4

About 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol

1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol (PubChem CID 107408415) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
PubChem CID107408415
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol
SMILESCCOc1ccccc1CN1CCCC(C)(O)CC1
InChIInChI=1S/C16H25NO2/c1-3-19-15-8-5-4-7-14(15)13-17-11-6-9-16(2,18)10-12-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3
InChIKeyJKNOTNGUSUVMFL-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-2-(4-hydroxy-4-methylazepan-1-yl)ethanone
CID 107405344
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzamide
CID 107408094
2-[(4-hydroxy-4-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 107404843
1-[[2-(ethylamino)-3-pyridinyl]methyl]-4-methylazepan-4-ol
CID 107408556
[1-[(2-ethoxyphenyl)methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120780821
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473
4-methyl-1-[[2-(propylamino)-3-pyridinyl]methyl]azepan-4-ol
CID 107408579
1-[(2-ethoxyphenyl)methyl]-4-imidazol-1-ylpiperidine-4-carboxylic acid
CID 56889081
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 72852998
[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
1-[4-[9-[(2-ethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]phenyl]ethanone
CID 11235882

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol (CID 107408415) is 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol is CCOc1ccccc1CN1CCCC(C)(O)CC1.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol?
The InChIKey is JKNOTNGUSUVMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-19-15-8-5-4-7-14(15)13-17-11-6-9-16(2,18)10-12-17/h4-5,7-8,18H,3,6,9-13H2,1-2H3.
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol?
1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).