6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine

C15H16FNO2 — CID 170761601

IUPAC6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine
SMILESCOc1ccc(COC2=CC(C)=CC(F)=CN2)cc1
InChIInChI=1S/C15H16FNO2/c1-11-7-13(16)9-17-15(8-11)19-10-12-3-5-14(18-2)6-4-12/h3-9,17H,10H2,1-2H3
InChIKeyLTWGRMVRSCSSKG-UHFFFAOYSA-N
MW261.30 g/mol
LogP3.41
Rot. Bonds4

About 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine

6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine (PubChem CID 170761601) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine.

Molecular Properties

Compound Name6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine
PubChem CID170761601
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine
SMILESCOc1ccc(COC2=CC(C)=CC(F)=CN2)cc1
InChIInChI=1S/C15H16FNO2/c1-11-7-13(16)9-17-15(8-11)19-10-12-3-5-14(18-2)6-4-12/h3-9,17H,10H2,1-2H3
InChIKeyLTWGRMVRSCSSKG-UHFFFAOYSA-N
XLogP3.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
5-[2-fluoro-6-[(4-methoxyphenyl)methoxy]phenyl]-1H-pyrazol-3-amine
CID 166147884
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
CID 123980360
CID 123980360
5-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methylpyrimidine
CID 70990513
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
6-[(4-methoxyphenyl)methoxy]-2,5-dimethyl-3H-azepine
CID 118372987
1-[4,5-difluoro-2-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 71248787
2-[(4-methoxyphenyl)methoxy]-6-methylaniline
CID 43381877
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine?
The IUPAC name of 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine (CID 170761601) is 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine.
What is the SMILES notation for 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine?
The canonical SMILES for 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine is COc1ccc(COC2=CC(C)=CC(F)=CN2)cc1.
What is the InChIKey of 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine?
The InChIKey is LTWGRMVRSCSSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-11-7-13(16)9-17-15(8-11)19-10-12-3-5-14(18-2)6-4-12/h3-9,17H,10H2,1-2H3.
What are the key properties of 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine?
6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine has a molecular weight of 261.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(4-methoxyphenyl)methoxy]-4-methyl-1H-azepine is sourced from PubChem (CID 170761601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).