2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol

Name: 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₀N₂O₂ — CID 64851241

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol

SMILESOCCOCCN1CCCNc2ccccc21

InChIInChI=1S/C13H20N2O2/c16-9-11-17-10-8-15-7-3-6-14-12-4-1-2-5-13(12)15/h1-2,4-5,14,16H,3,6-11H2

InChIKeySGHCSWVOYPNJHV-UHFFFAOYSA-N

MW236.31 g/mol

LogP1.32

Rot. Bonds5

About 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol

2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol (PubChem CID 64851241) has the molecular formula C₁₃H₂₀N₂O₂ and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol.

Molecular Properties

Compound Name	2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol
PubChem CID	64851241
Molecular Formula	C₁₃H₂₀N₂O₂
Molecular Weight	236.31 g/mol
Exact Mass	236.15
IUPAC Name	2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol
SMILES	OCCOCCN1CCCNc2ccccc21
InChI	InChI=1S/C13H20N2O2/c16-9-11-17-10-8-15-7-3-6-14-12-4-1-2-5-13(12)15/h1-2,4-5,14,16H,3,6-11H2
InChIKey	SGHCSWVOYPNJHV-UHFFFAOYSA-N
XLogP	1.32
TPSA	44.73 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	236.31
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol?

The IUPAC name of 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol (CID 64851241) is 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol.

What is the SMILES notation for 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol?

The canonical SMILES for 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol is OCCOCCN1CCCNc2ccccc21.

What is the InChIKey of 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol?

The InChIKey is SGHCSWVOYPNJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c16-9-11-17-10-8-15-7-3-6-14-12-4-1-2-5-13(12)15/h1-2,4-5,14,16H,3,6-11H2.

What are the key properties of 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol?

2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol has a molecular weight of 236.31 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,2,3,4-tetrahydro-1,5-benzodiazepin-5-yl)ethoxy]ethanol is sourced from PubChem (CID 64851241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 64851241 — identifiers, structure, computed properties (public domain)

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