6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine

C16H19NO2 — CID 118372987

IUPAC6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine
SMILESCOc1ccc(COC2=CN=C(C)CC=C2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-4-5-13(2)17-10-16(12)19-11-14-6-8-15(18-3)9-7-14/h4,6-10H,5,11H2,1-3H3
InChIKeyZJAPACIIWMHXHB-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.86
Rot. Bonds4

About 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine

6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine (PubChem CID 118372987) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine
PubChem CID118372987
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine
SMILESCOc1ccc(COC2=CN=C(C)CC=C2C)cc1
InChIInChI=1S/C16H19NO2/c1-12-4-5-13(2)17-10-16(12)19-11-14-6-8-15(18-3)9-7-14/h4,6-10H,5,11H2,1-3H3
InChIKeyZJAPACIIWMHXHB-UHFFFAOYSA-N
XLogP3.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831
6-[(4-methoxyphenyl)methoxy]pyridine-2,3-diamine
CID 59437374
6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine
CID 170761601
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
2-[(4-methoxyphenyl)methoxy]-6-methylpyridin-3-amine
CID 81133075
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylaniline
CID 170076319
2-[4-[(4-methoxyphenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82249355
(4-methoxyphenyl)methyl hypobromite
CID 166766888
5-iodo-4-[(4-methoxyphenyl)methoxy]pyrimidine
CID 66317781

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine?
The IUPAC name of 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine (CID 118372987) is 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine?
The canonical SMILES for 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine is COc1ccc(COC2=CN=C(C)CC=C2C)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine?
The InChIKey is ZJAPACIIWMHXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-12-4-5-13(2)17-10-16(12)19-11-14-6-8-15(18-3)9-7-14/h4,6-10H,5,11H2,1-3H3.
What are the key properties of 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine?
6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine has a molecular weight of 257.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine is sourced from PubChem (CID 118372987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).