3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine

C15H17F2NO — CID 112517299

IUPAC3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine
SMILESNCCC(CCc1ccco1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-12-4-6-15(17)14(10-12)11(7-8-18)3-5-13-2-1-9-19-13/h1-2,4,6,9-11H,3,5,7-8,18H2
InChIKeyGYBRBDIQYIFTOE-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.62
Rot. Bonds6

About 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine

3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine (PubChem CID 112517299) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine
PubChem CID112517299
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine
SMILESNCCC(CCc1ccco1)c1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-12-4-6-15(17)14(10-12)11(7-8-18)3-5-13-2-1-9-19-13/h1-2,4,6,9-11H,3,5,7-8,18H2
InChIKeyGYBRBDIQYIFTOE-UHFFFAOYSA-N
XLogP3.62
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(5-fluoro-2-methylphenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105302143
[1-(2,5-difluorophenyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105288848
1-(4-chloro-2-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105173645
1-amino-2-(2-chloro-4-fluorophenyl)-5-(furan-2-yl)pentan-3-ol
CID 65189777
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
N-[(2,5-difluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 43312742
(2,5-difluorophenyl)-(furan-2-yl)methanamine
CID 43415092
1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105083868
1-(2-chloro-5-fluorophenyl)-N-ethyl-3-(furan-2-yl)propan-1-amine
CID 105397390
N-[1-(2,5-difluorophenyl)ethyl]-1-(furan-2-yl)propan-2-amine
CID 43693054
1-(2-chloro-5-fluorophenyl)-4-(furan-2-yl)butan-2-amine
CID 102622645
1-(2-chloro-5-fluorophenyl)-3-(furan-2-yl)-N-propylpropan-1-amine
CID 105397187

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine?
The IUPAC name of 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine (CID 112517299) is 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine?
The canonical SMILES for 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine is NCCC(CCc1ccco1)c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine?
The InChIKey is GYBRBDIQYIFTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c16-12-4-6-15(17)14(10-12)11(7-8-18)3-5-13-2-1-9-19-13/h1-2,4,6,9-11H,3,5,7-8,18H2.
What are the key properties of 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine?
3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine has a molecular weight of 265.30 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-5-(furan-2-yl)pentan-1-amine is sourced from PubChem (CID 112517299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).