2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

C13H22Cl2N2O2 — CID 11957117

IUPAC2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCCOc1ccc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C13H21ClN2O2.ClH/c1-2-18-13-4-3-12(14)9-11(13)10-16-6-5-15-7-8-17;/h3-4,9,15-17H,2,5-8,10H2,1H3;1H
InChIKeyUHQZCINRJIJPGJ-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.83
Rot. Bonds9

About 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (PubChem CID 11957117) has the molecular formula C13H22Cl2N2O2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
PubChem CID11957117
Molecular FormulaC13H22Cl2N2O2
Molecular Weight309.24 g/mol
Exact Mass308.11
IUPAC Name2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCCOc1ccc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C13H21ClN2O2.ClH/c1-2-18-13-4-3-12(14)9-11(13)10-16-6-5-15-7-8-17;/h3-4,9,15-17H,2,5-8,10H2,1H3;1H
InChIKeyUHQZCINRJIJPGJ-UHFFFAOYSA-N
XLogP1.83
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (CID 11957117) is 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is CCOc1ccc(Cl)cc1CNCCNCCO.Cl.
What is the InChIKey of 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The InChIKey is UHQZCINRJIJPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2.ClH/c1-2-18-13-4-3-12(14)9-11(13)10-16-6-5-15-7-8-17;/h3-4,9,15-17H,2,5-8,10H2,1H3;1H.
What are the key properties of 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride has a molecular weight of 309.24 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(5-chloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 11957117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).