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

C15H23NO2 — CID 82980507

IUPAC4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
SMILESCOc1ccc(O)c(CN2CCCCCC2C)c1
InChIInChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-10-14(18-2)7-8-15(13)17/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyABWQHWAVTBWJRM-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.17
Rot. Bonds3

About 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol

4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol (PubChem CID 82980507) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
PubChem CID82980507
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol
SMILESCOc1ccc(O)c(CN2CCCCCC2C)c1
InChIInChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-10-14(18-2)7-8-15(13)17/h7-8,10,12,17H,3-6,9,11H2,1-2H3
InChIKeyABWQHWAVTBWJRM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[(3aR,7aS)-3-[(2-hydroxy-5-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-2H-benzimidazol-1-yl]methyl]-4-methoxyphenol
CID 102228821
2-methoxy-5-[(2-methylazepan-1-yl)methyl]phenol
CID 82980366
4,5-dichloro-2-[(2-methylpiperidin-1-yl)methyl]phenol;methanol
CID 156723320
1-[2-(2-bromo-5-methoxyphenyl)ethyl]-2-methylpiperidine
CID 171934524
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-5-methoxyphenol
CID 82981783
2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-4-methoxyphenol
CID 83007608
2-(3-methoxyphenyl)-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 42961658
4-methoxy-2-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 82981208
[1-[(2-bromo-5-methoxyphenyl)methyl]azepan-2-yl]methanol
CID 116637167
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-4-methoxyphenol
CID 82983035
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol?
The IUPAC name of 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol (CID 82980507) is 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol?
The canonical SMILES for 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol is COc1ccc(O)c(CN2CCCCCC2C)c1.
What is the InChIKey of 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol?
The InChIKey is ABWQHWAVTBWJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12-6-4-3-5-9-16(12)11-13-10-14(18-2)7-8-15(13)17/h7-8,10,12,17H,3-6,9,11H2,1-2H3.
What are the key properties of 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol?
4-methoxy-2-[(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 4-methoxy-2-[(2-methylazepan-1-yl)methyl]phenol is sourced from PubChem (CID 82980507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).