7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine

C17H17FNO2- — CID 11437671

IUPAC7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
SMILES[O-]N1CCCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C17H17FNO2/c18-16-5-1-3-13(9-16)12-21-17-7-6-15-11-19(20)8-2-4-14(15)10-17/h1,3,5-7,9-10H,2,4,8,11-12H2/q-1
InChIKeyGZNUPDDKTDRRRO-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.65
Rot. Bonds3

About 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine

7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 11437671) has the molecular formula C17H17FNO2- and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID11437671
Molecular FormulaC17H17FNO2-
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine
SMILES[O-]N1CCCc2cc(OCc3cccc(F)c3)ccc2C1
InChIInChI=1S/C17H17FNO2/c18-16-5-1-3-13(9-16)12-21-17-7-6-15-11-19(20)8-2-4-14(15)10-17/h1,3,5-7,9-10H,2,4,8,11-12H2/q-1
InChIKeyGZNUPDDKTDRRRO-UHFFFAOYSA-N
XLogP3.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(3-fluorophenyl)methoxy]-3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 11152264
[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl] carbamate
CID 69292957
2-[7-[(3-fluorophenyl)methoxy]-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propanamide
CID 11302300
5-[(3-bromophenyl)methoxy]-2,3-dihydro-1H-indene
CID 60645315
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[[6-[(3-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]oxy]propanal
CID 145339163
2-[5-[(3-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetonitrile
CID 22594220
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323
[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]boronic acid
CID 83139837
[4-[(3-fluorophenyl)methoxy]phenyl]methanol
CID 887902
1-(chloromethyl)-4-[(3-fluorophenyl)methoxy]benzene
CID 29038126

Frequently Asked Questions

What is the IUPAC name of 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine (CID 11437671) is 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine is [O-]N1CCCc2cc(OCc3cccc(F)c3)ccc2C1.
What is the InChIKey of 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is GZNUPDDKTDRRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FNO2/c18-16-5-1-3-13(9-16)12-21-17-7-6-15-11-19(20)8-2-4-14(15)10-17/h1,3,5-7,9-10H,2,4,8,11-12H2/q-1.
What are the key properties of 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine?
7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 286.33 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-fluorophenyl)methoxy]-2-oxido-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 11437671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).