2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride

C15H20Cl4N2O2 — CID 17332050

IUPAC2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H18Cl2N2O2.2ClH/c16-11-1-3-14(17)13(9-11)15-4-2-12(21-15)10-19-6-5-18-7-8-20;;/h1-4,9,18-20H,5-8,10H2;2*1H
InChIKeyVGKGLKYTRITTFQ-UHFFFAOYSA-N
MW402.15 g/mol
LogP3.77
Rot. Bonds8

About 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17332050) has the molecular formula C15H20Cl4N2O2 and a molecular weight of 402.15 g/mol. Its IUPAC name is 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17332050
Molecular FormulaC15H20Cl4N2O2
Molecular Weight402.15 g/mol
Exact Mass400.03
IUPAC Name2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C15H18Cl2N2O2.2ClH/c16-11-1-3-14(17)13(9-11)15-4-2-12(21-15)10-19-6-5-18-7-8-20;;/h1-4,9,18-20H,5-8,10H2;2*1H
InChIKeyVGKGLKYTRITTFQ-UHFFFAOYSA-N
XLogP3.77
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.15
LogP ≤ 53.77
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-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]pentan-1-ol
CID 17211736
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 4723557
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]prop-2-en-1-amine
CID 4723564
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-(4-fluorophenyl)methanamine;hydrochloride
CID 17332038
2-[3-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214372
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-1-pyridin-3-ylmethanamine
CID 2996307
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]octan-1-amine;hydrochloride
CID 17332919

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride (CID 17332050) is 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is VGKGLKYTRITTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O2.2ClH/c16-11-1-3-14(17)13(9-11)15-4-2-12(21-15)10-19-6-5-18-7-8-20;;/h1-4,9,18-20H,5-8,10H2;2*1H.
What are the key properties of 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 402.15 g/mol, XLogP of 3.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17332050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).