2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol

C15H23NO2 — CID 82980366

IUPAC2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
SMILESCOc1ccc(CN2CCCCCC2C)cc1O
InChIInChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-7-8-15(18-2)14(17)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyZCCPOAGUBLJOCF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds3

About 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol

2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol (PubChem CID 82980366) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
PubChem CID82980366
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
SMILESCOc1ccc(CN2CCCCCC2C)cc1O
InChIInChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-7-8-15(18-2)14(17)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyZCCPOAGUBLJOCF-UHFFFAOYSA-N
XLogP3.17
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methoxy-5-[(2-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341173
N'-hydroxy-2-methoxy-5-[(2-methylazepan-1-yl)methyl]benzenecarboximidamide
CID 77065911
2-ethoxy-4-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 783162
3-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-2-yl]propanoic acid
CID 65062672
ethyl (2S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidine-2-carboxylate
CID 7446357
2-methoxy-5-[[(2R)-2-(1-methylpyrazol-3-yl)azepan-1-yl]methyl]phenol
CID 92567238
5-[(2,4-dimethylpyrrolidin-1-yl)methyl]-2-methoxyphenol
CID 113346191
2-[1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 65067754
5-[[2-[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]azepan-1-yl]methyl]-2-methoxyphenol
CID 110219921
4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
CID 82980507
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol?
The IUPAC name of 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol (CID 82980366) is 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol.
What is the SMILES notation for 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol?
The canonical SMILES for 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol is COc1ccc(CN2CCCCCC2C)cc1O.
What is the InChIKey of 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol?
The InChIKey is ZCCPOAGUBLJOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-7-8-15(18-2)14(17)10-13/h7-8,10,12,17H,3-6,9,11H2,1-2H3.
What are the key properties of 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol?
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol has a molecular weight of 249.35 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol is sourced from PubChem (CID 82980366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).