7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol

C10H12ClNO — CID 83679545

IUPAC7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
SMILESOC1CCNCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-7-6-12-4-3-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2
InChIKeyRQZSZFVRZBSXEL-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.87
Rot. Bonds

About 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol

7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol (PubChem CID 83679545) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol.

Molecular Properties

Compound Name7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
PubChem CID83679545
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
SMILESOC1CCNCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c11-8-2-1-7-6-12-4-3-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2
InChIKeyRQZSZFVRZBSXEL-UHFFFAOYSA-N
XLogP1.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 146013175
6-chloro-2,3-dihydro-1H-inden-1-ol
CID 42614780
7-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
CID 10058548
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
6-chloro-2,3-dihydro-1H-isoindol-1-amine
CID 145207105
[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130987856
N-(4-chloro-2-fluorophenyl)-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103981250
(1S)-7-chloro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417859
3-chloro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934374
N-[(4-chlorophenyl)methyl]-2,3,4,5-tetrahydro-1H-2-benzazepin-5-amine
CID 103980819
7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 10465263
(5S)-7-chloro-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 23652278

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol?
The IUPAC name of 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol (CID 83679545) is 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol.
What is the SMILES notation for 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol?
The canonical SMILES for 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol is OC1CCNCc2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol?
The InChIKey is RQZSZFVRZBSXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-8-2-1-7-6-12-4-3-10(13)9(7)5-8/h1-2,5,10,12-13H,3-4,6H2.
What are the key properties of 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol?
7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol has a molecular weight of 197.66 g/mol, XLogP of 1.87, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol is sourced from PubChem (CID 83679545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).