2-(2-methoxy-3-methylphenyl)azepane

C14H21NO — CID 5021978

IUPAC2-(2-methoxy-3-methylphenyl)azepane
SMILESCOc1c(C)cccc1C1CCCCCN1
InChIInChI=1S/C14H21NO/c1-11-7-6-8-12(14(11)16-2)13-9-4-3-5-10-15-13/h6-8,13,15H,3-5,9-10H2,1-2H3
InChIKeyUJYNYXOPVIZIJT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.21
Rot. Bonds2

About 2-(2-methoxy-3-methylphenyl)azepane

2-(2-methoxy-3-methylphenyl)azepane (PubChem CID 5021978) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylphenyl)azepane.

Molecular Properties

Compound Name2-(2-methoxy-3-methylphenyl)azepane
PubChem CID5021978
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-(2-methoxy-3-methylphenyl)azepane
SMILESCOc1c(C)cccc1C1CCCCCN1
InChIInChI=1S/C14H21NO/c1-11-7-6-8-12(14(11)16-2)13-9-4-3-5-10-15-13/h6-8,13,15H,3-5,9-10H2,1-2H3
InChIKeyUJYNYXOPVIZIJT-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3-methyl-6-piperidin-2-ylphenol
CID 84686849
2-(2,3,4-trimethoxyphenyl)azepane
CID 62543922
(2R)-2-(2,3,4-trimethoxyphenyl)piperidine;hydrochloride
CID 171195335
(2S)-2-(4-methoxy-2-methylphenyl)azepane
CID 26189003
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
(2S)-2-naphthalen-1-ylazepane
CID 7048283
2-(4-methoxy-2,3,5-trimethylphenyl)piperidine
CID 82290366
2-(2-bromo-3-methoxyphenyl)piperidine
CID 84712674
2-(2,3-dimethoxy-4-methylsulfonylphenyl)piperidine
CID 117482426
2-naphthalen-1-ylpiperidine
CID 4209523
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
CID 171195444
3-(2-methoxy-3-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 82626024

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylphenyl)azepane?
The IUPAC name of 2-(2-methoxy-3-methylphenyl)azepane (CID 5021978) is 2-(2-methoxy-3-methylphenyl)azepane.
What is the SMILES notation for 2-(2-methoxy-3-methylphenyl)azepane?
The canonical SMILES for 2-(2-methoxy-3-methylphenyl)azepane is COc1c(C)cccc1C1CCCCCN1.
What is the InChIKey of 2-(2-methoxy-3-methylphenyl)azepane?
The InChIKey is UJYNYXOPVIZIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-6-8-12(14(11)16-2)13-9-4-3-5-10-15-13/h6-8,13,15H,3-5,9-10H2,1-2H3.
What are the key properties of 2-(2-methoxy-3-methylphenyl)azepane?
2-(2-methoxy-3-methylphenyl)azepane has a molecular weight of 219.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylphenyl)azepane is sourced from PubChem (CID 5021978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).