N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline

C15H18FNO — CID 43121316

IUPACN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(F)ccc2C)c(C)o1
InChIInChI=1S/C15H18FNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyFZROAOYVEQFVTR-UHFFFAOYSA-N
MW247.31 g/mol
LogP4.52
Rot. Bonds3

About N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline

N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline (PubChem CID 43121316) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline
PubChem CID43121316
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC NameN-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline
SMILESCc1cc(C(C)Nc2cc(F)ccc2C)c(C)o1
InChIInChI=1S/C15H18FNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3
InChIKeyFZROAOYVEQFVTR-UHFFFAOYSA-N
XLogP4.52
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethyl-3-furancarboxanilide
CID 34281
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 2558565
3-acetamido-N-[2-(furan-2-yl)ethyl]benzamide
CID 9506757
2,5-dimethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylfuran-3-carboxamide
CID 25163737
2-{[(2E)-3-(5-methylfuran-2-yl)prop-2-enoyl]amino}benzamide
CID 712939
(2E)-N-(3-Fluoro-4-methylphenyl)-3-(furan-2-YL)prop-2-enamide
CID 6026486
1-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 56827346
2-ethyl-N-[[5-[(2-ethylanilino)methyl]furan-2-yl]methyl]aniline
CID 155556242
2-(trifluoromethyl)-N-[[5-[[2-(trifluoromethyl)anilino]methyl]furan-2-yl]methyl]aniline
CID 155556609
1-(2,5-dimethyl-3-furoyl)-N-(4-fluorophenyl)-3-piperidinamine
CID 24790067
2-methyl-N-[[5-[(2-methylanilino)methyl]furan-2-yl]methyl]aniline
CID 155535502
(2E)-N-(2,4-dimethylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712923

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline?
The IUPAC name of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline (CID 43121316) is N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline.
What is the SMILES notation for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline?
The canonical SMILES for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline is Cc1cc(C(C)Nc2cc(F)ccc2C)c(C)o1.
What is the InChIKey of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline?
The InChIKey is FZROAOYVEQFVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-5-6-13(16)8-15(9)17-11(3)14-7-10(2)18-12(14)4/h5-8,11,17H,1-4H3.
What are the key properties of N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline?
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline has a molecular weight of 247.31 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-2-methylaniline is sourced from PubChem (CID 43121316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).