8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

C12H18ClN — CID 75366017

IUPAC8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
SMILESCCc1ccc2c(c1)CNCCC2.Cl
InChIInChI=1S/C12H17N.ClH/c1-2-10-5-6-11-4-3-7-13-9-12(11)8-10;/h5-6,8,13H,2-4,7,9H2,1H3;1H
InChIKeyDEWWUKVPZHGZKE-UHFFFAOYSA-N
MW211.74 g/mol
LogP2.71
Rot. Bonds1

About 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride

8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride (PubChem CID 75366017) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride.

Molecular Properties

Compound Name8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
PubChem CID75366017
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
SMILESCCc1ccc2c(c1)CNCCC2.Cl
InChIInChI=1S/C12H17N.ClH/c1-2-10-5-6-11-4-3-7-13-9-12(11)8-10;/h5-6,8,13H,2-4,7,9H2,1H3;1H
InChIKeyDEWWUKVPZHGZKE-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 134590925
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75366031
ethane;2,3,4,5-tetrahydro-1H-2-benzazepine
CID 145125160
7-methyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 58285092
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanamine
CID 115104816
7-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104140
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 143985819
7-ethylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 139410237
6-ethyl-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 82048510
N-(1,2,3,4-tetrahydroisoquinolin-6-ylmethyl)ethanamine
CID 83963309

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The IUPAC name of 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride (CID 75366017) is 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride.
What is the SMILES notation for 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The canonical SMILES for 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride is CCc1ccc2c(c1)CNCCC2.Cl.
What is the InChIKey of 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
The InChIKey is DEWWUKVPZHGZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-2-10-5-6-11-4-3-7-13-9-12(11)8-10;/h5-6,8,13H,2-4,7,9H2,1H3;1H.
What are the key properties of 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride?
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride is sourced from PubChem (CID 75366017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).