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

C18H21NO2 — CID 103314356

IUPAC3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCCOc1cccc(OC2CCc3ccccc3NC2)c1
InChIInChI=1S/C18H21NO2/c1-2-20-15-7-5-8-16(12-15)21-17-11-10-14-6-3-4-9-18(14)19-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyXCRBHIAAYFBGOP-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.89
Rot. Bonds4

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

3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (PubChem CID 103314356) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
PubChem CID103314356
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
SMILESCCOc1cccc(OC2CCc3ccccc3NC2)c1
InChIInChI=1S/C18H21NO2/c1-2-20-15-7-5-8-16(12-15)21-17-11-10-14-6-3-4-9-18(14)19-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3
InChIKeyXCRBHIAAYFBGOP-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-ethylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314321
3-(3-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314313
(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-(4-fluoro-3-methylphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314398
3-(3-chloro-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314344
3-(3-bromo-4-fluorophenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314408
3-(1-propylpyrazol-4-yl)oxy-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103314416
3-(3-ethoxyphenoxy)cyclopentan-1-one
CID 79643582
3-(3-ethoxyphenoxy)-N-methylcyclopentan-1-amine
CID 79632551
2-(3-ethoxyphenoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62336546
3-(1-ethoxypropan-2-yloxy)-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 103490774

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The IUPAC name of 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine (CID 103314356) is 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine.
What is the SMILES notation for 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The canonical SMILES for 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is CCOc1cccc(OC2CCc3ccccc3NC2)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
The InChIKey is XCRBHIAAYFBGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-2-20-15-7-5-8-16(12-15)21-17-11-10-14-6-3-4-9-18(14)19-13-17/h3-9,12,17,19H,2,10-11,13H2,1H3.
What are the key properties of 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine?
3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine has a molecular weight of 283.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)-2,3,4,5-tetrahydro-1H-1-benzazepine is sourced from PubChem (CID 103314356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).