1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine

C13H20N2O — CID 82242175

IUPAC1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCCN1CC(C)NCc2ccc(OC)cc21
InChIInChI=1S/C13H20N2O/c1-4-15-9-10(2)14-8-11-5-6-12(16-3)7-13(11)15/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyCJADTIGPZLBHMO-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.01
Rot. Bonds2

About 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine

1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (PubChem CID 82242175) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
PubChem CID82242175
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
SMILESCCN1CC(C)NCc2ccc(OC)cc21
InChIInChI=1S/C13H20N2O/c1-4-15-9-10(2)14-8-11-5-6-12(16-3)7-13(11)15/h5-7,10,14H,4,8-9H2,1-3H3
InChIKeyCJADTIGPZLBHMO-UHFFFAOYSA-N
XLogP2.01
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241461
1-ethyl-3,7-dimethyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82241399
8-methoxy-3-methyl-1-(1-phenylethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251733
1-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzazepine
CID 86703343
1-butyl-8-methoxy-3,3-dimethyl-4,5-dihydro-2H-1,4-benzodiazepine
CID 82246486
3-ethyl-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 62375759
1-(2-ethylsulfonylethyl)-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 106733427
2-ethyl-6-methoxy-3H-isoindole-1-thione
CID 143510282
4-[2-(8-methoxy-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)ethyl]morpholine
CID 82250940
(3S)-1-[(2-ethyl-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 120845894
3,7-dimethyl-1-(2-phenoxyethyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine
CID 82251727
[(3S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
CID 130682443

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine (CID 82242175) is 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine is CCN1CC(C)NCc2ccc(OC)cc21.
What is the InChIKey of 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is CJADTIGPZLBHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15-9-10(2)14-8-11-5-6-12(16-3)7-13(11)15/h5-7,10,14H,4,8-9H2,1-3H3.
What are the key properties of 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine?
1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 220.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-8-methoxy-3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 82242175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).