2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

C13H24Cl2N2O2 — CID 17295669

IUPAC2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCCOc1cccc(CNCCNCCO)c1.Cl.Cl
InChIInChI=1S/C13H22N2O2.2ClH/c1-2-17-13-5-3-4-12(10-13)11-15-7-6-14-8-9-16;;/h3-5,10,14-16H,2,6-9,11H2,1H3;2*1H
InChIKeyJWMKLWSBWKRADX-UHFFFAOYSA-N
MW311.25 g/mol
LogP1.60
Rot. Bonds9

About 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17295669) has the molecular formula C13H24Cl2N2O2 and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17295669
Molecular FormulaC13H24Cl2N2O2
Molecular Weight311.25 g/mol
Exact Mass310.12
IUPAC Name2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCCOc1cccc(CNCCNCCO)c1.Cl.Cl
InChIInChI=1S/C13H22N2O2.2ClH/c1-2-17-13-5-3-4-12(10-13)11-15-7-6-14-8-9-16;;/h3-5,10,14-16H,2,6-9,11H2,1H3;2*1H
InChIKeyJWMKLWSBWKRADX-UHFFFAOYSA-N
XLogP1.60
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 51.60
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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Related Compounds

5-[(3-ethoxyphenyl)methylamino]pentan-1-ol
CID 17206726
2-[2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17295166
N-[(3-ethoxyphenyl)methyl]pentan-1-amine
CID 4717531
N-[(3-ethoxyphenyl)methyl]heptan-1-amine
CID 4717571
methyl 3-[(3-ethoxyphenyl)methylamino]propanoate
CID 60874455
1-[(3-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)urea
CID 110894196
1-(4-ethoxyphenyl)-N-[(3-ethoxyphenyl)methyl]methanamine
CID 60776460
N-[(3-ethoxyphenyl)methyl]-2-ethylsulfonylethanamine
CID 60871815
N-[(3-ethoxyphenyl)methyl]but-3-yn-1-amine
CID 63654869
N'-[(3-ethoxyphenyl)methyl]butane-1,4-diamine
CID 60895275
3-[(3-ethoxyphenyl)methylamino]propanenitrile
CID 60872565
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]ethanol;hydrochloride
CID 2950906

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (CID 17295669) is 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is CCOc1cccc(CNCCNCCO)c1.Cl.Cl.
What is the InChIKey of 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is JWMKLWSBWKRADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2.2ClH/c1-2-17-13-5-3-4-12(10-13)11-15-7-6-14-8-9-16;;/h3-5,10,14-16H,2,6-9,11H2,1H3;2*1H.
What are the key properties of 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 311.25 g/mol, XLogP of 1.60, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-ethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17295669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).