4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine

HCID 36378

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Basic information

CAS: 33210-54-7
Standard SMILES: CCOC(C1=NCCCCN1)c1ccccc1
InChIKey: BRIQNDUDPPAHFX-UHFFFAOYSA-N
Molecular formula: C14H20N2O
Average molar mass: 232.32 g/mol
Monoisotopic mass: 232.15756327

Names & identifiers

Preferred name: 4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine
IUPAC: 2-[ethoxy(phenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine
English name: 4,5,6,7-Tetrahydro-2-(α-ethoxybenzyl)-1H-1,3-diazepine
Molecular formula: C14H20N2O
Molecular weight: 232.3214

Names & synonyms

4,5,6,7-Tetrahydro-2-(alpha-ethoxybenzyl)-1H-1,3-diazepine33210-54-7BRN 07904292-[ethoxy(phenyl)methyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine2-(alpha-Ethoxybenzyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine1H-1,3-Diazepine, 2-(alpha-ethoxybenzyl)-4,5,6,7-tetrahydro-1H-1,3-DIAZEPINE, 4,5,6,7-TETRAHYDRO-2-(alpha-ETHOXYBENZYL)-DTXSID709548294,5,6,7-Tetrahydro-2-(α-ethoxybenzyl)-1H-1,3-diazepine

Database identifiers

CAS: 33210-54-7
PubChem CID: 36378
DTXSID: DTXSID70954829
Nikkaji: J72.753I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 33.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 247

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