N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline

C17H15F2NO — CID 43666012

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
SMILESCCc1oc2ccccc2c1CNc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-16-15(14-5-3-4-6-17(14)21-16)10-20-13-8-11(18)7-12(19)9-13/h3-9,20H,2,10H2,1H3
InChIKeyTVKFTDIUORWDAS-UHFFFAOYSA-N
MW287.31 g/mol
LogP4.89
Rot. Bonds4

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline (PubChem CID 43666012) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
PubChem CID43666012
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline
SMILESCCc1oc2ccccc2c1CNc1cc(F)cc(F)c1
InChIInChI=1S/C17H15F2NO/c1-2-16-15(14-5-3-4-6-17(14)21-16)10-20-13-8-11(18)7-12(19)9-13/h3-9,20H,2,10H2,1H3
InChIKeyTVKFTDIUORWDAS-UHFFFAOYSA-N
XLogP4.89
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43665972
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-fluoro-4-methylaniline
CID 43666009
4-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 43666008
3-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-5-methylaniline
CID 107582283
4-bromo-3-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 107618736
2,6-dichloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]aniline
CID 65469504
2-bromo-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylaniline
CID 43665979
N'-[(2-ethyl-1-benzofuran-3-yl)methyl]ethane-1,2-diamine
CID 60888739
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3-methylbutan-2-amine
CID 43226118
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-methylpyridin-3-amine
CID 65491280
2-chloro-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-6-methylaniline
CID 66254002
N-[(2-ethyl-1-benzofuran-3-yl)methyl]pentan-1-amine
CID 43226064

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline (CID 43666012) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline is CCc1oc2ccccc2c1CNc1cc(F)cc(F)c1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline?
The InChIKey is TVKFTDIUORWDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-16-15(14-5-3-4-6-17(14)21-16)10-20-13-8-11(18)7-12(19)9-13/h3-9,20H,2,10H2,1H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline has a molecular weight of 287.31 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-3,5-difluoroaniline is sourced from PubChem (CID 43666012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).