2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol

C15H23NO — CID 105493478

IUPAC2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
SMILESCC(C)(O)CCc1cccc2c1CCCCN2
InChIInChI=1S/C15H23NO/c1-15(2,17)10-9-12-6-5-8-14-13(12)7-3-4-11-16-14/h5-6,8,16-17H,3-4,7,9-11H2,1-2H3
InChIKeySJBPQHYSWIVGIQ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.14
Rot. Bonds3

About 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol

2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol (PubChem CID 105493478) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
PubChem CID105493478
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol
SMILESCC(C)(O)CCc1cccc2c1CCCCN2
InChIInChI=1S/C15H23NO/c1-15(2,17)10-9-12-6-5-8-14-13(12)7-3-4-11-16-14/h5-6,8,16-17H,3-4,7,9-11H2,1-2H3
InChIKeySJBPQHYSWIVGIQ-UHFFFAOYSA-N
XLogP3.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol?
The IUPAC name of 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol (CID 105493478) is 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol is CC(C)(O)CCc1cccc2c1CCCCN2.
What is the InChIKey of 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol?
The InChIKey is SJBPQHYSWIVGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-15(2,17)10-9-12-6-5-8-14-13(12)7-3-4-11-16-14/h5-6,8,16-17H,3-4,7,9-11H2,1-2H3.
What are the key properties of 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol?
2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,3,4,5-tetrahydro-1H-1-benzazepin-6-yl)butan-2-ol is sourced from PubChem (CID 105493478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).