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

C16H20FNO — CID 62632746

IUPAC1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H20FNO/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3
InChIKeyOGHAUJUZKSTGKG-UHFFFAOYSA-N
MW261.34 g/mol
LogP4.54
Rot. Bonds6

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

1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine (PubChem CID 62632746) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
PubChem CID62632746
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(-c2cccc(F)c2)o1
InChIInChI=1S/C16H20FNO/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3
InChIKeyOGHAUJUZKSTGKG-UHFFFAOYSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[5-(3-fluorophenyl)furan-2-yl]ethyl]propan-1-amine
CID 62498898
1-[5-(2-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 62633103
N-[2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)ethyl]propan-1-amine
CID 54980002
1-[5-(4-propan-2-ylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 63398585
N-ethyl-1-[5-(3-iodophenyl)furan-2-yl]propan-1-amine
CID 55185572
1-[5-(3-fluorophenyl)furan-2-yl]ethanamine
CID 62498738
1-[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]-N-propylpropan-1-amine
CID 107593416
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]-N-propylpropan-1-amine
CID 103481081
1-[3-(2,5-difluorophenyl)phenyl]-N-propylpropan-1-amine
CID 63424857
1-[5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857789
1-[5-(2-bromo-5-fluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 107626833
1-[5-(2,3-difluorophenyl)furan-2-yl]-N-ethylpropan-1-amine
CID 62633461

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine (CID 62632746) is 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine is CCCNC(CC)c1ccc(-c2cccc(F)c2)o1.
What is the InChIKey of 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine?
The InChIKey is OGHAUJUZKSTGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-3-10-18-14(4-2)16-9-8-15(19-16)12-6-5-7-13(17)11-12/h5-9,11,14,18H,3-4,10H2,1-2H3.
What are the key properties of 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine?
1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-fluorophenyl)furan-2-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62632746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).