3-fluoro-N-[1-(furan-2-yl)propyl]aniline

C13H14FNO — CID 62631964

IUPAC3-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1cccc(F)c1)c1ccco1
InChIInChI=1S/C13H14FNO/c1-2-12(13-7-4-8-16-13)15-11-6-3-5-10(14)9-11/h3-9,12,15H,2H2,1H3
InChIKeyBKVFSRFCXAIYPJ-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.98
Rot. Bonds4

About 3-fluoro-N-[1-(furan-2-yl)propyl]aniline

3-fluoro-N-[1-(furan-2-yl)propyl]aniline (PubChem CID 62631964) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 3-fluoro-N-[1-(furan-2-yl)propyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[1-(furan-2-yl)propyl]aniline
PubChem CID62631964
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name3-fluoro-N-[1-(furan-2-yl)propyl]aniline
SMILESCCC(Nc1cccc(F)c1)c1ccco1
InChIInChI=1S/C13H14FNO/c1-2-12(13-7-4-8-16-13)15-11-6-3-5-10(14)9-11/h3-9,12,15H,2H2,1H3
InChIKeyBKVFSRFCXAIYPJ-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 107364032
N-[3-[1-(furan-2-yl)propylamino]phenyl]methanesulfonamide
CID 62631438
3-[1-(furan-2-yl)propylamino]benzenesulfonamide
CID 62634130
4-fluoro-N-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)aniline
CID 62632909
3-fluoro-N-[furan-2-yl(phenyl)methyl]aniline
CID 43194263
methyl 3-[1-(furan-2-yl)propylamino]benzoate
CID 62632863
4-(difluoromethoxy)-3-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62633256
N-[1-(furan-2-yl)propyl]-3-(5-methyltetrazol-1-yl)aniline
CID 62633991
4-chloro-2-fluoro-N-[1-(furan-2-yl)propyl]aniline
CID 62632711
N-ethyl-2-(3-fluorophenyl)sulfanyl-1-(furan-2-yl)ethanamine
CID 66073333
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
3-fluoro-N-[(3S)-2-methylpentan-3-yl]aniline
CID 93282117

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The IUPAC name of 3-fluoro-N-[1-(furan-2-yl)propyl]aniline (CID 62631964) is 3-fluoro-N-[1-(furan-2-yl)propyl]aniline.
What is the SMILES notation for 3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The canonical SMILES for 3-fluoro-N-[1-(furan-2-yl)propyl]aniline is CCC(Nc1cccc(F)c1)c1ccco1.
What is the InChIKey of 3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
The InChIKey is BKVFSRFCXAIYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-2-12(13-7-4-8-16-13)15-11-6-3-5-10(14)9-11/h3-9,12,15H,2H2,1H3.
What are the key properties of 3-fluoro-N-[1-(furan-2-yl)propyl]aniline?
3-fluoro-N-[1-(furan-2-yl)propyl]aniline has a molecular weight of 219.26 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(furan-2-yl)propyl]aniline is sourced from PubChem (CID 62631964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).