2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

C13H24Cl2N2O3 — CID 17295831

IUPAC2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCOc1ccc(CNCCNCCO)c(OC)c1.Cl.Cl
InChIInChI=1S/C13H22N2O3.2ClH/c1-17-12-4-3-11(13(9-12)18-2)10-15-6-5-14-7-8-16;;/h3-4,9,14-16H,5-8,10H2,1-2H3;2*1H
InChIKeyZEOKDGCPYFMZJK-UHFFFAOYSA-N
MW327.25 g/mol
LogP1.22
Rot. Bonds9

About 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17295831) has the molecular formula C13H24Cl2N2O3 and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17295831
Molecular FormulaC13H24Cl2N2O3
Molecular Weight327.25 g/mol
Exact Mass326.12
IUPAC Name2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCOc1ccc(CNCCNCCO)c(OC)c1.Cl.Cl
InChIInChI=1S/C13H22N2O3.2ClH/c1-17-12-4-3-11(13(9-12)18-2)10-15-6-5-14-7-8-16;;/h3-4,9,14-16H,5-8,10H2,1-2H3;2*1H
InChIKeyZEOKDGCPYFMZJK-UHFFFAOYSA-N
XLogP1.22
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
CID 17213990
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
2-[2-[(2-methoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17294920
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
3-[(2,4-dimethoxyphenyl)methylamino]propanenitrile
CID 28728146
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
2-(2,4-dimethoxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 43389932
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride (CID 17295831) is 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is COc1ccc(CNCCNCCO)c(OC)c1.Cl.Cl.
What is the InChIKey of 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is ZEOKDGCPYFMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3.2ClH/c1-17-12-4-3-11(13(9-12)18-2)10-15-6-5-14-7-8-16;;/h3-4,9,14-16H,5-8,10H2,1-2H3;2*1H.
What are the key properties of 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 327.25 g/mol, XLogP of 1.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).