1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine

C13H14FNO — CID 83176188

IUPAC1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO/c1-15-13(8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9,13,15H,8H2,1H3
InChIKeyXZNJFRDJMKPIRE-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.92
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine

1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine (PubChem CID 83176188) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
PubChem CID83176188
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine
SMILESCNC(Cc1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C13H14FNO/c1-15-13(8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9,13,15H,8H2,1H3
InChIKeyXZNJFRDJMKPIRE-UHFFFAOYSA-N
XLogP2.92
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-fluorophenyl)-2-(furan-3-yl)ethanamine
CID 83174702
2-(furan-3-yl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 105029850
1-(2,6-difluorophenyl)-2-(furan-3-yl)-N-methylethanamine
CID 83183458
1-(4-bromo-3-methylphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030035
1-(1,3-dihydro-2-benzofuran-5-yl)-2-(furan-3-yl)-N-methylethanamine
CID 105029864
1-(3,4-diethoxyphenyl)-2-(furan-3-yl)-N-methylethanamine
CID 105030051
2-(furan-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 105030112
1-(4-butylphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43484353
1-[2-fluoro-5-(trifluoromethyl)phenyl]-2-(furan-3-yl)-N-methylethanamine
CID 83183465
1-(furan-3-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 61065426
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-N-methylethanamine
CID 55041100
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(furan-3-yl)ethanamine
CID 83182969

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine (CID 83176188) is 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine is CNC(Cc1ccoc1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
The InChIKey is XZNJFRDJMKPIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-15-13(8-10-6-7-16-9-10)11-2-4-12(14)5-3-11/h2-7,9,13,15H,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine?
1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(furan-3-yl)-N-methylethanamine is sourced from PubChem (CID 83176188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).