2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

C13H15ClFNO — CID 17331094

IUPAC2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.Fc1ccccc1CCNCc1ccco1
InChIInChI=1S/C13H14FNO.ClH/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyMLQYEFZWBOKLDZ-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.17
Rot. Bonds5

About 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride

2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (PubChem CID 17331094) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
PubChem CID17331094
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride
SMILESCl.Fc1ccccc1CCNCc1ccco1
InChIInChI=1S/C13H14FNO.ClH/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H
InChIKeyMLQYEFZWBOKLDZ-UHFFFAOYSA-N
XLogP3.17
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-difluorophenyl)-N-(furan-2-ylmethyl)ethanamine
CID 78955642
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
6-N-[2-(2-fluorophenyl)ethyl]-4-N-(furan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112858566
2-N-[2-(2-fluorophenyl)ethyl]-6-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097096
2-[2-[(furan-2-ylmethylamino)methyl]phenyl]-N-methylethanamine
CID 113425631
4-N-[2-(2-fluorophenyl)ethyl]-2-N-(furan-2-ylmethyl)-6-methylpyrimidine-2,4-diamine
CID 112915304
N-[2-(2-fluorophenyl)ethyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255062
3-N-[2-(2-fluorophenyl)ethyl]-5-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104852
1-[2-(2-fluorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111355633
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
2-[bis(furan-2-ylmethyl)amino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 8842242

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The IUPAC name of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride (CID 17331094) is 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is Cl.Fc1ccccc1CCNCc1ccco1.
What is the InChIKey of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
The InChIKey is MLQYEFZWBOKLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO.ClH/c14-13-6-2-1-4-11(13)7-8-15-10-12-5-3-9-16-12;/h1-6,9,15H,7-8,10H2;1H.
What are the key properties of 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride?
2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;hydrochloride is sourced from PubChem (CID 17331094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).