N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline

C15H17F2NOS — CID 43764511

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C15H17F2NOS/c1-2-11-5-3-4-6-14(11)18-9-12-7-8-13(19-12)10-20-15(16)17/h3-8,15,18H,2,9-10H2,1H3
InChIKeyFYQQONAZXVALCL-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.91
Rot. Bonds7

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline (PubChem CID 43764511) has the molecular formula C15H17F2NOS and a molecular weight of 297.37 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
PubChem CID43764511
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline
SMILESCCc1ccccc1NCc1ccc(CSC(F)F)o1
InChIInChI=1S/C15H17F2NOS/c1-2-11-5-3-4-6-14(11)18-9-12-7-8-13(19-12)10-20-15(16)17/h3-8,15,18H,2,9-10H2,1H3
InChIKeyFYQQONAZXVALCL-UHFFFAOYSA-N
XLogP4.91
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-3-methylpentan-3-amine
CID 113237061
5-bromo-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-methylaniline
CID 43787832
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-N-ethylpropanamide
CID 43225480
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpropanamide
CID 61220171
3-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43779908
2-bromo-5-chloro-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]aniline
CID 81270799
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
2,6-dibromo-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-4-methylaniline
CID 43773554
2-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]propan-1-ol
CID 43776345
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline (CID 43764511) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline is CCc1ccccc1NCc1ccc(CSC(F)F)o1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline?
The InChIKey is FYQQONAZXVALCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-2-11-5-3-4-6-14(11)18-9-12-7-8-13(19-12)10-20-15(16)17/h3-8,15,18H,2,9-10H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline has a molecular weight of 297.37 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylaniline is sourced from PubChem (CID 43764511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).