8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

C12H17NO — CID 75366031

IUPAC8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCOc1ccc2c(c1)CNCCC2
InChIInChI=1S/C12H17NO/c1-2-14-12-6-5-10-4-3-7-13-9-11(10)8-12/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyDTINPHIRDQCPBJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.12
Rot. Bonds2

About 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine

8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 75366031) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID75366031
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESCCOc1ccc2c(c1)CNCCC2
InChIInChI=1S/C12H17NO/c1-2-14-12-6-5-10-4-3-7-13-9-11(10)8-12/h5-6,8,13H,2-4,7,9H2,1H3
InChIKeyDTINPHIRDQCPBJ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine;dihydrochloride
CID 159371166
8-ethyl-2,3,4,5-tetrahydro-1H-2-benzazepine;hydrochloride
CID 75366017
7-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 115076478
7-[(1-ethylpiperidin-4-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076616
ethane;7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 143868283
7-[(1-ethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076556
7-[(1-ethylpyrrolidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076602
3-ethoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 119030370
8-(2,2-dimethylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 134590925
7-[(1-ethyl-2-methylpyrrolidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076530
6-(diethoxyphosphorylmethoxy)-1,2,3,4-tetrahydroisoquinoline
CID 58944445
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 75366031) is 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is CCOc1ccc2c(c1)CNCCC2.
What is the InChIKey of 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is DTINPHIRDQCPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-14-12-6-5-10-4-3-7-13-9-11(10)8-12/h5-6,8,13H,2-4,7,9H2,1H3.
What are the key properties of 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 191.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 75366031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).