2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride

C14H26Cl2N2O3 — CID 17213990

IUPAC2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
SMILESCOc1ccc(CNCCCNCCO)c(OC)c1.Cl.Cl
InChIInChI=1S/C14H24N2O3.2ClH/c1-18-13-5-4-12(14(10-13)19-2)11-16-7-3-6-15-8-9-17;;/h4-5,10,15-17H,3,6-9,11H2,1-2H3;2*1H
InChIKeyFFXYACPBYXZWPP-UHFFFAOYSA-N
MW341.28 g/mol
LogP1.61
Rot. Bonds10

About 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride

2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride (PubChem CID 17213990) has the molecular formula C14H26Cl2N2O3 and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
PubChem CID17213990
Molecular FormulaC14H26Cl2N2O3
Molecular Weight341.28 g/mol
Exact Mass340.13
IUPAC Name2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride
SMILESCOc1ccc(CNCCCNCCO)c(OC)c1.Cl.Cl
InChIInChI=1S/C14H24N2O3.2ClH/c1-18-13-5-4-12(14(10-13)19-2)11-16-7-3-6-15-8-9-17;;/h4-5,10,15-17H,3,6-9,11H2,1-2H3;2*1H
InChIKeyFFXYACPBYXZWPP-UHFFFAOYSA-N
XLogP1.61
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 51.61
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-[2-[(2,4-dimethoxyphenyl)methylamino]ethylamino]ethanol;dihydrochloride
CID 17295831
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoropropan-1-amine
CID 81105409
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[3-[(2,4-dimethoxyphenyl)methylamino]propyl]methanesulfonamide
CID 103611740
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
2-[(2-chloro-4-methoxyphenyl)methylamino]ethanol
CID 96658307
N-[(2,4-dimethoxyphenyl)methyl]-3-ethoxypropan-1-amine
CID 4105922
N-[(2,4-dimethoxyphenyl)methyl]-3-methylsulfonylpropan-1-amine
CID 54905855
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride (CID 17213990) is 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride is COc1ccc(CNCCCNCCO)c(OC)c1.Cl.Cl.
What is the InChIKey of 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
The InChIKey is FFXYACPBYXZWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3.2ClH/c1-18-13-5-4-12(14(10-13)19-2)11-16-7-3-6-15-8-9-17;;/h4-5,10,15-17H,3,6-9,11H2,1-2H3;2*1H.
What are the key properties of 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride?
2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride has a molecular weight of 341.28 g/mol, XLogP of 1.61, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-dimethoxyphenyl)methylamino]propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17213990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).