2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride

C20H28Cl4N2O3 — CID 17214062

IUPAC2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCOc1cccc(CNCCCNCCO)c1OCc1ccc(Cl)cc1Cl.Cl.Cl
InChIInChI=1S/C20H26Cl2N2O3.2ClH/c1-26-19-5-2-4-15(13-24-9-3-8-23-10-11-25)20(19)27-14-16-6-7-17(21)12-18(16)22;;/h2,4-7,12,23-25H,3,8-11,13-14H2,1H3;2*1H
InChIKeyIEYPPTJPTHVVBW-UHFFFAOYSA-N
MW486.27 g/mol
LogP4.49
Rot. Bonds12

About 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride

2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride (PubChem CID 17214062) has the molecular formula C20H28Cl4N2O3 and a molecular weight of 486.27 g/mol. Its IUPAC name is 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
PubChem CID17214062
Molecular FormulaC20H28Cl4N2O3
Molecular Weight486.27 g/mol
Exact Mass484.09
IUPAC Name2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCOc1cccc(CNCCCNCCO)c1OCc1ccc(Cl)cc1Cl.Cl.Cl
InChIInChI=1S/C20H26Cl2N2O3.2ClH/c1-26-19-5-2-4-15(13-24-9-3-8-23-10-11-25)20(19)27-14-16-6-7-17(21)12-18(16)22;;/h2,4-7,12,23-25H,3,8-11,13-14H2,1H3;2*1H
InChIKeyIEYPPTJPTHVVBW-UHFFFAOYSA-N
XLogP4.49
TPSA62.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.27
LogP ≤ 54.49
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

N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]heptan-1-amine
CID 4716879
2-[3-[[3-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214160
3-butoxy-N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-1-amine
CID 17207603
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17289861
5-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylamino]pentan-1-ol;hydrochloride
CID 17211541
N'-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17216215
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-1-amine
CID 4716969
2-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]ethanol;hydrochloride
CID 2951461
1-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propyl]pyrrolidin-2-one
CID 17211934
2-(2,4-dichlorophenyl)-N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine;hydrochloride
CID 17209623
2-[3-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylamino]propylamino]ethanol
CID 66537534
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-2-methoxyethanamine
CID 17212686

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride (CID 17214062) is 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride is COc1cccc(CNCCCNCCO)c1OCc1ccc(Cl)cc1Cl.Cl.Cl.
What is the InChIKey of 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride?
The InChIKey is IEYPPTJPTHVVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O3.2ClH/c1-26-19-5-2-4-15(13-24-9-3-8-23-10-11-25)20(19)27-14-16-6-7-17(21)12-18(16)22;;/h2,4-7,12,23-25H,3,8-11,13-14H2,1H3;2*1H.
What are the key properties of 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride?
2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride has a molecular weight of 486.27 g/mol, XLogP of 4.49, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylamino]propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17214062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).