2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride

C11H18Cl4N2O — CID 17294838

IUPAC2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2O.2ClH/c12-10-2-1-3-11(13)9(10)8-15-5-4-14-6-7-16;;/h1-3,14-16H,4-8H2;2*1H
InChIKeyVGSJJWWJYXMKBI-UHFFFAOYSA-N
MW336.09 g/mol
LogP2.51
Rot. Bonds7

About 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17294838) has the molecular formula C11H18Cl4N2O and a molecular weight of 336.09 g/mol. Its IUPAC name is 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17294838
Molecular FormulaC11H18Cl4N2O
Molecular Weight336.09 g/mol
Exact Mass334.02
IUPAC Name2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1c(Cl)cccc1Cl
InChIInChI=1S/C11H16Cl2N2O.2ClH/c12-10-2-1-3-11(13)9(10)8-15-5-4-14-6-7-16;;/h1-3,14-16H,4-8H2;2*1H
InChIKeyVGSJJWWJYXMKBI-UHFFFAOYSA-N
XLogP2.51
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.09
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-6-methylphenyl)methylamino]ethanol
CID 54352748
N-[(2,6-dichlorophenyl)methyl]propan-1-amine;hydrochloride
CID 17290865
N-[(2,6-dichlorophenyl)methyl]ethanamine;hydrochloride
CID 17290765
2-[2-(2-chloro-6-fluorophenyl)ethylamino]ethanol
CID 94682382
N-[(2,6-dichlorophenyl)methyl]-2-[2-[(2,6-dichlorophenyl)methylamino]ethyldisulfanyl]ethanamine;hydrochloride
CID 15574751
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[2-[(2,6-dichlorophenyl)methylamino]ethyl]-2-methylpropanamide
CID 28651326
(2S)-4-[(2,6-dichlorophenyl)methylamino]butan-2-ol
CID 96500104
N-[(2,6-dichlorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226497
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
3-chloro-2-[(2-methylsulfinylethylamino)methyl]phenol
CID 115632524
4-[(2,6-dichlorophenyl)methylamino]-3-methylbutan-1-ol
CID 66089888

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride (CID 17294838) is 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is VGSJJWWJYXMKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2O.2ClH/c12-10-2-1-3-11(13)9(10)8-15-5-4-14-6-7-16;;/h1-3,14-16H,4-8H2;2*1H.
What are the key properties of 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 336.09 g/mol, XLogP of 2.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,6-dichlorophenyl)methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17294838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).