4-(2,4-dimethoxy-3-methylphenyl)azepane

C15H23NO2 — CID 82297126

IUPAC4-(2,4-dimethoxy-3-methylphenyl)azepane
SMILESCOc1ccc(C2CCCNCC2)c(OC)c1C
InChIInChI=1S/C15H23NO2/c1-11-14(17-2)7-6-13(15(11)18-3)12-5-4-9-16-10-8-12/h6-7,12,16H,4-5,8-10H2,1-3H3
InChIKeyAZROXIKQFLTQSK-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.87
Rot. Bonds3

About 4-(2,4-dimethoxy-3-methylphenyl)azepane

4-(2,4-dimethoxy-3-methylphenyl)azepane (PubChem CID 82297126) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(2,4-dimethoxy-3-methylphenyl)azepane.

Molecular Properties

Compound Name4-(2,4-dimethoxy-3-methylphenyl)azepane
PubChem CID82297126
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(2,4-dimethoxy-3-methylphenyl)azepane
SMILESCOc1ccc(C2CCCNCC2)c(OC)c1C
InChIInChI=1S/C15H23NO2/c1-11-14(17-2)7-6-13(15(11)18-3)12-5-4-9-16-10-8-12/h6-7,12,16H,4-5,8-10H2,1-3H3
InChIKeyAZROXIKQFLTQSK-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422234
3-(3,4-dimethoxy-2-methylphenyl)pyrrolidine
CID 84686824
3-(2,4-dimethoxy-3-methylsulfanylphenyl)piperidine
CID 117422244
3-(2,4-dimethoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117386712
3-(2-chloro-3,4-dimethoxyphenyl)piperidine
CID 117392621
4-(5-tert-butyl-2-methoxyphenyl)azepane
CID 82302415
4-(4-methoxy-2-methylphenyl)azepane
CID 83261173
3-(4-methoxy-2,3-dimethylphenyl)azetidine
CID 82281458
3-(2-cyclobutyloxy-3-methoxyphenyl)piperidine
CID 117408157
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507
3-(3-bromo-2-methoxy-4-methylphenyl)piperidine
CID 115004613
3-(2,4-dimethoxy-3-propan-2-ylphenyl)pyrrolidine
CID 117377277

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)azepane?
The IUPAC name of 4-(2,4-dimethoxy-3-methylphenyl)azepane (CID 82297126) is 4-(2,4-dimethoxy-3-methylphenyl)azepane.
What is the SMILES notation for 4-(2,4-dimethoxy-3-methylphenyl)azepane?
The canonical SMILES for 4-(2,4-dimethoxy-3-methylphenyl)azepane is COc1ccc(C2CCCNCC2)c(OC)c1C.
What is the InChIKey of 4-(2,4-dimethoxy-3-methylphenyl)azepane?
The InChIKey is AZROXIKQFLTQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11-14(17-2)7-6-13(15(11)18-3)12-5-4-9-16-10-8-12/h6-7,12,16H,4-5,8-10H2,1-3H3.
What are the key properties of 4-(2,4-dimethoxy-3-methylphenyl)azepane?
4-(2,4-dimethoxy-3-methylphenyl)azepane has a molecular weight of 249.35 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxy-3-methylphenyl)azepane is sourced from PubChem (CID 82297126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).