N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine

C15H18FNO — CID 62498898

IUPACN-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H18FNO/c1-3-9-17-11(2)14-7-8-15(18-14)12-5-4-6-13(16)10-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyXMCZSBZBSMRRDK-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.15
Rot. Bonds5

About N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine

N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine (PubChem CID 62498898) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
PubChem CID62498898
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C15H18FNO/c1-3-9-17-11(2)14-7-8-15(18-14)12-5-4-6-13(16)10-12/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyXMCZSBZBSMRRDK-UHFFFAOYSA-N
XLogP4.15
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62632746
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
N-[1-[5-[4-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398755
N-[1-[5-(3-bromo-5-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 107577114
N-[1-[5-(2,4,6-trichlorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398850
N-[1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]ethyl]propan-1-amine
CID 63398964
N-[1-[5-(2,4-dimethylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 62499557
N-ethyl-1-[5-(4-fluoro-3-methylphenyl)furan-2-yl]ethanamine
CID 62812039
1-[5-(3-ethylphenyl)furan-2-yl]-N-methylethanamine
CID 62498081
N-[1-(5-quinolin-5-ylfuran-2-yl)ethyl]propan-1-amine
CID 62500349
1-[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]-N-ethylethanamine
CID 107577103
N-[1-[5-(2-chloro-4-methylphenyl)furan-2-yl]ethyl]propan-1-amine
CID 63398504

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine (CID 62498898) is N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine?
The InChIKey is XMCZSBZBSMRRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-3-9-17-11(2)14-7-8-15(18-14)12-5-4-6-13(16)10-12/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine?
N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine has a molecular weight of 247.31 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62498898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).