5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol

C15H23NO — CID 70833978

IUPAC5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol
SMILESCC(O)CCCC1CCNc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-12(17)5-4-6-13-9-10-16-15-8-3-2-7-14(15)11-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3
InChIKeyMESZZLQYSWFAIF-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds4

About 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol

5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol (PubChem CID 70833978) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol
PubChem CID70833978
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol
SMILESCC(O)CCCC1CCNc2ccccc2C1
InChIInChI=1S/C15H23NO/c1-12(17)5-4-6-13-9-10-16-15-8-3-2-7-14(15)11-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3
InChIKeyMESZZLQYSWFAIF-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol?
The IUPAC name of 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol (CID 70833978) is 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol.
What is the SMILES notation for 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol?
The canonical SMILES for 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol is CC(O)CCCC1CCNc2ccccc2C1.
What is the InChIKey of 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol?
The InChIKey is MESZZLQYSWFAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)5-4-6-13-9-10-16-15-8-3-2-7-14(15)11-13/h2-3,7-8,12-13,16-17H,4-6,9-11H2,1H3.
What are the key properties of 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol?
5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol is sourced from PubChem (CID 70833978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).