3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol

C17H19NO — CID 71271750

IUPAC3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol
SMILESOCCCN1C=CC2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C17H19NO/c19-13-5-11-18-12-10-14-6-1-2-7-15(14)16-8-3-4-9-17(16)18/h1,3-4,6,8-10,12,19H,2,5,7,11,13H2
InChIKeyJETGFXICOOBEKU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.51
Rot. Bonds3

About 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol

3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol (PubChem CID 71271750) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol
PubChem CID71271750
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol
SMILESOCCCN1C=CC2=C(CCC=C2)c2ccccc21
InChIInChI=1S/C17H19NO/c19-13-5-11-18-12-10-14-6-1-2-7-15(14)16-8-3-4-9-17(16)18/h1,3-4,6,8-10,12,19H,2,5,7,11,13H2
InChIKeyJETGFXICOOBEKU-UHFFFAOYSA-N
XLogP3.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol?
The IUPAC name of 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol (CID 71271750) is 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol?
The canonical SMILES for 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol is OCCCN1C=CC2=C(CCC=C2)c2ccccc21.
What is the InChIKey of 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol?
The InChIKey is JETGFXICOOBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-13-5-11-18-12-10-14-6-1-2-7-15(14)16-8-3-4-9-17(16)18/h1,3-4,6,8-10,12,19H,2,5,7,11,13H2.
What are the key properties of 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol?
3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,11-dihydrobenzo[d][1]benzazepin-5-yl)propan-1-ol is sourced from PubChem (CID 71271750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).