3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine

C19H22N2O — CID 68511788

IUPAC3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C19H22N2O/c1-2-11-20-19(6-1)22-18-8-7-15-9-12-21(17-4-3-5-17)13-10-16(15)14-18/h1-2,6-8,11,14,17H,3-5,9-10,12-13H2
InChIKeyRXJJBIFHNJJGBV-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.83
Rot. Bonds3

About 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine

3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 68511788) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID68511788
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine
SMILESc1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1
InChIInChI=1S/C19H22N2O/c1-2-11-20-19(6-1)22-18-8-7-15-9-12-21(17-4-3-5-17)13-10-16(15)14-18/h1-2,6-8,11,14,17H,3-5,9-10,12-13H2
InChIKeyRXJJBIFHNJJGBV-UHFFFAOYSA-N
XLogP3.83
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine (CID 68511788) is 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine is c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1.
What is the InChIKey of 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is RXJJBIFHNJJGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-11-20-19(6-1)22-18-8-7-15-9-12-21(17-4-3-5-17)13-10-16(15)14-18/h1-2,6-8,11,14,17H,3-5,9-10,12-13H2.
What are the key properties of 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine?
3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 294.40 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-7-pyridin-2-yloxy-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 68511788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).