2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride

C16H23Cl2FN2O2 — CID 17214280

IUPAC2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H21FN2O2.2ClH/c17-15-5-2-1-4-14(15)16-7-6-13(21-16)12-19-9-3-8-18-10-11-20;;/h1-2,4-7,18-20H,3,8-12H2;2*1H
InChIKeyGSIIEDULLUSFNE-UHFFFAOYSA-N
MW365.28 g/mol
LogP2.99
Rot. Bonds9

About 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride

2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride (PubChem CID 17214280) has the molecular formula C16H23Cl2FN2O2 and a molecular weight of 365.28 g/mol. Its IUPAC name is 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
PubChem CID17214280
Molecular FormulaC16H23Cl2FN2O2
Molecular Weight365.28 g/mol
Exact Mass364.11
IUPAC Name2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
SMILESCl.Cl.OCCNCCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H21FN2O2.2ClH/c17-15-5-2-1-4-14(15)16-7-6-13(21-16)12-19-9-3-8-18-10-11-20;;/h1-2,4-7,18-20H,3,8-12H2;2*1H
InChIKeyGSIIEDULLUSFNE-UHFFFAOYSA-N
XLogP2.99
TPSA57.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 52.99
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-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
N',N'-dibutyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]propane-1,3-diamine
CID 17214750
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
2-[3-[[5-(2-chloro-4-iodophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214372
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 51051741
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride?
The IUPAC name of 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride (CID 17214280) is 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride.
What is the SMILES notation for 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride?
The canonical SMILES for 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride is Cl.Cl.OCCNCCCNCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride?
The InChIKey is GSIIEDULLUSFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2.2ClH/c17-15-5-2-1-4-14(15)16-7-6-13(21-16)12-19-9-3-8-18-10-11-20;;/h1-2,4-7,18-20H,3,8-12H2;2*1H.
What are the key properties of 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride?
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride has a molecular weight of 365.28 g/mol, XLogP of 2.99, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride is sourced from PubChem (CID 17214280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).