2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

C13H21Cl3N2O2 — CID 11958863

IUPAC2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C13H20Cl2N2O2.ClH/c1-2-19-13-10(7-11(14)8-12(13)15)9-17-4-3-16-5-6-18;/h7-8,16-18H,2-6,9H2,1H3;1H
InChIKeyVHEAXOIQHTZDFE-UHFFFAOYSA-N
MW343.68 g/mol
LogP2.49
Rot. Bonds9

About 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride

2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (PubChem CID 11958863) has the molecular formula C13H21Cl3N2O2 and a molecular weight of 343.68 g/mol. Its IUPAC name is 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
PubChem CID11958863
Molecular FormulaC13H21Cl3N2O2
Molecular Weight343.68 g/mol
Exact Mass342.07
IUPAC Name2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride
SMILESCCOc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl
InChIInChI=1S/C13H20Cl2N2O2.ClH/c1-2-19-13-10(7-11(14)8-12(13)15)9-17-4-3-16-5-6-18;/h7-8,16-18H,2-6,9H2,1H3;1H
InChIKeyVHEAXOIQHTZDFE-UHFFFAOYSA-N
XLogP2.49
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.68
LogP ≤ 52.49
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-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The IUPAC name of 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride (CID 11958863) is 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is CCOc1c(Cl)cc(Cl)cc1CNCCNCCO.Cl.
What is the InChIKey of 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
The InChIKey is VHEAXOIQHTZDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O2.ClH/c1-2-19-13-10(7-11(14)8-12(13)15)9-17-4-3-16-5-6-18;/h7-8,16-18H,2-6,9H2,1H3;1H.
What are the key properties of 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride?
2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride has a molecular weight of 343.68 g/mol, XLogP of 2.49, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,5-dichloro-2-ethoxyphenyl)methylamino]ethylamino]ethanol;hydrochloride is sourced from PubChem (CID 11958863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).