2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride

C15H21Cl3N2O2 — CID 17332097

IUPAC2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H19ClN2O2.2ClH/c16-13-3-1-12(2-4-13)15-6-5-14(20-15)11-18-8-7-17-9-10-19;;/h1-6,17-19H,7-11H2;2*1H
InChIKeyHEQYBNZGTVRASQ-UHFFFAOYSA-N
MW367.70 g/mol
LogP3.12
Rot. Bonds8

About 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride

2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride (PubChem CID 17332097) has the molecular formula C15H21Cl3N2O2 and a molecular weight of 367.70 g/mol. Its IUPAC name is 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
PubChem CID17332097
Molecular FormulaC15H21Cl3N2O2
Molecular Weight367.70 g/mol
Exact Mass366.07
IUPAC Name2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCNCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C15H19ClN2O2.2ClH/c16-13-3-1-12(2-4-13)15-6-5-14(20-15)11-18-8-7-17-9-10-19;;/h1-6,17-19H,7-11H2;2*1H
InChIKeyHEQYBNZGTVRASQ-UHFFFAOYSA-N
XLogP3.12
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.70
LogP ≤ 53.12
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

2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chlorophenyl)ethanamine;hydrochloride
CID 17208659
methyl 4-[5-[(2-hydroxyethylamino)methyl]furan-2-yl]benzoate;hydrochloride
CID 17332782
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]acetonitrile;hydrochloride
CID 17332098
2-[3-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214309
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-pyridin-4-ylmethanamine;hydrochloride
CID 17332089
N-[[5-(3,5-dichlorophenyl)furan-2-yl]methyl]propan-1-amine;hydrochloride
CID 17332122
2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]butan-1-ol
CID 4723603
3-[5-(4-chlorophenyl)furan-2-yl]propan-1-ol
CID 170887546
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride (CID 17332097) is 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCNCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
The InChIKey is HEQYBNZGTVRASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2.2ClH/c16-13-3-1-12(2-4-13)15-6-5-14(20-15)11-18-8-7-17-9-10-19;;/h1-6,17-19H,7-11H2;2*1H.
What are the key properties of 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride?
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride has a molecular weight of 367.70 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17332097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).