1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride

C15H25ClN2O2 — CID 119906010

IUPAC1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
SMILESCCOc1ccccc1OCCN1CCCNCC1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-18-14-6-3-4-7-15(14)19-13-12-17-10-5-8-16-9-11-17;/h3-4,6-7,16H,2,5,8-13H2,1H3;1H
InChIKeyFCUBOSLWPXKVMH-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.18
Rot. Bonds6

About 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride

1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride (PubChem CID 119906010) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride.

Molecular Properties

Compound Name1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
PubChem CID119906010
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC Name1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride
SMILESCCOc1ccccc1OCCN1CCCNCC1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-2-18-14-6-3-4-7-15(14)19-13-12-17-10-5-8-16-9-11-17;/h3-4,6-7,16H,2,5,8-13H2,1H3;1H
InChIKeyFCUBOSLWPXKVMH-UHFFFAOYSA-N
XLogP2.18
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride?
The IUPAC name of 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride (CID 119906010) is 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride.
What is the SMILES notation for 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride?
The canonical SMILES for 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride is CCOc1ccccc1OCCN1CCCNCC1.Cl.
What is the InChIKey of 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride?
The InChIKey is FCUBOSLWPXKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-2-18-14-6-3-4-7-15(14)19-13-12-17-10-5-8-16-9-11-17;/h3-4,6-7,16H,2,5,8-13H2,1H3;1H.
What are the key properties of 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride?
1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethoxyphenoxy)ethyl]-1,4-diazepane;hydrochloride is sourced from PubChem (CID 119906010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).