2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride

C13H15ClFNO2 — CID 6464178

IUPAC2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H14FNO2.ClH/c14-12-4-2-1-3-11(12)13-6-5-10(17-13)9-15-7-8-16;/h1-6,15-16H,7-9H2;1H
InChIKeyWQIOWNUTYQHJJP-UHFFFAOYSA-N
MW271.72 g/mol
LogP2.59
Rot. Bonds5

About 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride

2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride (PubChem CID 6464178) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
PubChem CID6464178
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
SMILESCl.OCCNCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C13H14FNO2.ClH/c14-12-4-2-1-3-11(12)13-6-5-10(17-13)9-15-7-8-16;/h1-6,15-16H,7-9H2;1H
InChIKeyWQIOWNUTYQHJJP-UHFFFAOYSA-N
XLogP2.59
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952
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
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(furan-2-yl)methanamine
CID 4723490
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-pyridin-2-yloxyethanamine
CID 51051741
2-[2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332050
2-(3,4-dimethoxyphenyl)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethanamine
CID 4723460
2-ethyl-2-[[[5-(2-fluorophenyl)furan-2-yl]methylamino]methyl]butanoic acid
CID 122129177
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4724191
2-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17332097

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride?
The IUPAC name of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride (CID 6464178) is 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride?
The canonical SMILES for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride is Cl.OCCNCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride?
The InChIKey is WQIOWNUTYQHJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2.ClH/c14-12-4-2-1-3-11(12)13-6-5-10(17-13)9-15-7-8-16;/h1-6,15-16H,7-9H2;1H.
What are the key properties of 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride?
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride has a molecular weight of 271.72 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride is sourced from PubChem (CID 6464178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).