4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline

C15H18F2N2O — CID 63786304

IUPAC4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCC(N)Cc1cc(F)c(N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C15H18F2N2O/c1-10(18)6-11-7-13(16)15(14(17)8-11)19(2)9-12-4-3-5-20-12/h3-5,7-8,10H,6,9,18H2,1-2H3
InChIKeyZVQFXJJJJVABFN-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.08
Rot. Bonds5

About 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline

4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline (PubChem CID 63786304) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
PubChem CID63786304
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline
SMILESCC(N)Cc1cc(F)c(N(C)Cc2ccco2)c(F)c1
InChIInChI=1S/C15H18F2N2O/c1-10(18)6-11-7-13(16)15(14(17)8-11)19(2)9-12-4-3-5-20-12/h3-5,7-8,10H,6,9,18H2,1-2H3
InChIKeyZVQFXJJJJVABFN-UHFFFAOYSA-N
XLogP3.08
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopropyl)-N-(furan-2-ylmethyl)-N,2-dimethylaniline
CID 63786459
1-[2-fluoro-6-[furan-2-ylmethyl(methyl)amino]phenyl]ethanol
CID 43527064
2-[(1R)-1-aminoethyl]-N-ethyl-3-fluoro-N-(furan-2-ylmethyl)aniline
CID 63369519
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
2-(aminomethyl)-N-(furan-2-ylmethyl)-N,6-dimethylaniline
CID 107105514
2-N,2-N-bis(furan-2-ylmethyl)propane-1,2-diamine
CID 174709691
4-[(cyclopropylamino)methyl]-2-fluoro-N-(furan-2-ylmethyl)-N-methylaniline
CID 43527118
2-fluoro-6-[furan-2-ylmethyl(methyl)amino]benzoic acid
CID 79522283
3-fluoro-4-[furan-2-ylmethyl(methyl)amino]benzonitrile
CID 43657349
4-(2-aminopropyl)-N,N-dibutyl-2,6-difluoroaniline
CID 63787284
2-fluoro-N-(furan-2-ylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 43526990
4-N-(furan-2-ylmethyl)-4-N-methyl-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747297

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The IUPAC name of 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline (CID 63786304) is 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline.
What is the SMILES notation for 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The canonical SMILES for 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline is CC(N)Cc1cc(F)c(N(C)Cc2ccco2)c(F)c1.
What is the InChIKey of 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline?
The InChIKey is ZVQFXJJJJVABFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-10(18)6-11-7-13(16)15(14(17)8-11)19(2)9-12-4-3-5-20-12/h3-5,7-8,10H,6,9,18H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline?
4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline has a molecular weight of 280.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-2,6-difluoro-N-(furan-2-ylmethyl)-N-methylaniline is sourced from PubChem (CID 63786304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).