1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C13H19NO2 — CID 114338433

IUPAC1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOCCCN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H19NO2/c15-10-4-9-14-8-3-7-13(16)11-5-1-2-6-12(11)14/h1-2,5-6,13,15-16H,3-4,7-10H2
InChIKeySMQLSQMUQIZQOT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds3

About 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 114338433) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID114338433
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOCCCN1CCCC(O)c2ccccc21
InChIInChI=1S/C13H19NO2/c15-10-4-9-14-8-3-7-13(16)11-5-1-2-6-12(11)14/h1-2,5-6,13,15-16H,3-4,7-10H2
InChIKeySMQLSQMUQIZQOT-UHFFFAOYSA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475
1-octyl-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338347
1-(3-methoxy-3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 103024198
5-[5-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336250
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558248
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
5-[5-(propylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]pentan-1-ol
CID 114336464
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338490
1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338318
N,N-diethyl-2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
CID 104558270

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 114338433) is 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is OCCCN1CCCC(O)c2ccccc21.
What is the InChIKey of 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is SMQLSQMUQIZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-10-4-9-14-8-3-7-13(16)11-5-1-2-6-12(11)14/h1-2,5-6,13,15-16H,3-4,7-10H2.
What are the key properties of 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 221.30 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 114338433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).