3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

C16H16FNO — CID 103314313

IUPAC3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFc1cccc(OC2CCc3ccccc3NC2)c1
InChIInChI=1S/C16H16FNO/c17-13-5-3-6-14(10-13)19-15-9-8-12-4-1-2-7-16(12)18-11-15/h1-7,10,15,18H,8-9,11H2
InChIKeyPDNXKJJUFLQPJR-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.63
Rot. Bonds2

About 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine

3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 103314313) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID103314313
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESFc1cccc(OC2CCc3ccccc3NC2)c1
InChIInChI=1S/C16H16FNO/c17-13-5-3-6-14(10-13)19-15-9-8-12-4-1-2-7-16(12)18-11-15/h1-7,10,15,18H,8-9,11H2
InChIKeyPDNXKJJUFLQPJR-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314344
3-(4-fluoro-3-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314398
3-(3-ethylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314321
3-(3-bromo-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314408
3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314356
(3R)-3-(4-methoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 124637397
3-(4-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314319
3-(2-chlorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314300
4-(3-fluorophenoxy)cyclohexan-1-one
CID 83702247
3-(2,2-difluoroethoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314400
3-(1-propylpyrazol-4-yl)oxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314416
3-fluoro-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 84717070

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 103314313) is 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is Fc1cccc(OC2CCc3ccccc3NC2)c1.
What is the InChIKey of 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is PDNXKJJUFLQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c17-13-5-3-6-14(10-13)19-15-9-8-12-4-1-2-7-16(12)18-11-15/h1-7,10,15,18H,8-9,11H2.
What are the key properties of 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 257.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 103314313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).