2-ethyl-2-(2-methoxy-5-methylphenyl)azepane

C16H25NO — CID 79117416

IUPAC2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
SMILESCCC1(c2cc(C)ccc2OC)CCCCCN1
InChIInChI=1S/C16H25NO/c1-4-16(10-6-5-7-11-17-16)14-12-13(2)8-9-15(14)18-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyQFIXOIHWEWNODS-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.77
Rot. Bonds3

About 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane

2-ethyl-2-(2-methoxy-5-methylphenyl)azepane (PubChem CID 79117416) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane.

Molecular Properties

Compound Name2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
PubChem CID79117416
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-ethyl-2-(2-methoxy-5-methylphenyl)azepane
SMILESCCC1(c2cc(C)ccc2OC)CCCCCN1
InChIInChI=1S/C16H25NO/c1-4-16(10-6-5-7-11-17-16)14-12-13(2)8-9-15(14)18-3/h8-9,12,17H,4-7,10-11H2,1-3H3
InChIKeyQFIXOIHWEWNODS-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl]-2-methylazepane
CID 79117786
2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
3-(2-methoxy-5-methylphenyl)-2,2,3-trimethylpyrrolidine
CID 62355607
1-(2-methoxy-5-methylphenyl)cyclohexane-1-carbonitrile
CID 28937677
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-(2-bromophenyl)-2-ethylazepane
CID 115059389
3-(2-methoxy-5-methylphenyl)piperidin-3-ol
CID 63587735
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117313031
1-[1-(2-methoxy-5-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 62596778
2-ethyl-2-(3-fluoro-5-methylphenyl)azepane
CID 79704729
2-[1-(2-methoxy-5-methylphenyl)cyclopentyl]ethanamine
CID 82082897
1-[(2-methoxy-5-methylphenyl)methyl]cycloheptan-1-amine
CID 55042036

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane?
The IUPAC name of 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane (CID 79117416) is 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane.
What is the SMILES notation for 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane?
The canonical SMILES for 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane is CCC1(c2cc(C)ccc2OC)CCCCCN1.
What is the InChIKey of 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane?
The InChIKey is QFIXOIHWEWNODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(10-6-5-7-11-17-16)14-12-13(2)8-9-15(14)18-3/h8-9,12,17H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane?
2-ethyl-2-(2-methoxy-5-methylphenyl)azepane has a molecular weight of 247.38 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-methoxy-5-methylphenyl)azepane is sourced from PubChem (CID 79117416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).