N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine

C15H18FNO — CID 62812039

IUPACN-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)c(C)c2)o1
InChIInChI=1S/C15H18FNO/c1-4-17-11(3)14-7-8-15(18-14)12-5-6-13(16)10(2)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyOICXBNKTWRKGOI-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.06
Rot. Bonds4

About N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine

N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine (PubChem CID 62812039) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
PubChem CID62812039
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
SMILESCCNC(C)c1ccc(-c2ccc(F)c(C)c2)o1
InChIInChI=1S/C15H18FNO/c1-4-17-11(3)14-7-8-15(18-14)12-5-6-13(16)10(2)9-12/h5-9,11,17H,4H2,1-3H3
InChIKeyOICXBNKTWRKGOI-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]-N-methylethanamine
CID 55118751
N-ethyl-1-[5-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 63399021
1-[5-(4-bromo-3,5-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 107577088
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
N-ethyl-1-[5-(2,3,4-trifluorophenyl)furan-2-yl]ethanamine
CID 62499724
1-[5-(2,4-dimethylphenyl)furan-2-yl]-N-ethylethanamine
CID 55083630
1-(4,7-difluoro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65439618
1-[5-(4-bromo-3-methylphenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 63398685
N-ethyl-1-[5-(2-fluoro-4-nitrophenyl)furan-2-yl]ethanamine
CID 62499240
1-[5-[3-bromo-5-(trifluoromethyl)phenyl]furan-2-yl]-N-ethylethanamine
CID 65489059
N-ethyl-1-[2-(4-fluoro-3-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 64544285
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine?
The IUPAC name of N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine (CID 62812039) is N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine is CCNC(C)c1ccc(-c2ccc(F)c(C)c2)o1.
What is the InChIKey of N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine?
The InChIKey is OICXBNKTWRKGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-4-17-11(3)14-7-8-15(18-14)12-5-6-13(16)10(2)9-12/h5-9,11,17H,4H2,1-3H3.
What are the key properties of N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine?
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine has a molecular weight of 247.31 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine is sourced from PubChem (CID 62812039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).