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

C16H23NO2 — CID 114338318

IUPAC1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOC1CCCN(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C16H23NO2/c18-16-9-5-10-17(12-13-6-3-4-11-19-13)15-8-2-1-7-14(15)16/h1-2,7-8,13,16,18H,3-6,9-12H2
InChIKeySAIDGCNQJYTFSW-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.89
Rot. Bonds2

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

1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 114338318) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID114338318
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESOC1CCCN(CC2CCCCO2)c2ccccc21
InChIInChI=1S/C16H23NO2/c18-16-9-5-10-17(12-13-6-3-4-11-19-13)15-8-2-1-7-14(15)16/h1-2,7-8,13,16,18H,3-6,9-12H2
InChIKeySAIDGCNQJYTFSW-UHFFFAOYSA-N
XLogP2.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
1-(2-bromoprop-2-enyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 104558248
1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 103144081
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
2-(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-N-methylacetamide
CID 114338463
1-(oxan-2-ylmethyl)-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902946
N-hydroxy-4-[(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methyl]benzamide
CID 156889592
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338490
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
1-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114337680

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 114338318) is 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is OC1CCCN(CC2CCCCO2)c2ccccc21.
What is the InChIKey of 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is SAIDGCNQJYTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16-9-5-10-17(12-13-6-3-4-11-19-13)15-8-2-1-7-14(15)16/h1-2,7-8,13,16,18H,3-6,9-12H2.
What are the key properties of 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 261.36 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 114338318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).