N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine

C15H17F2NOS — CID 43225249

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(CSC(F)F)o2)cc1
InChIInChI=1S/C15H17F2NOS/c1-11-2-4-12(5-3-11)8-18-9-13-6-7-14(19-13)10-20-15(16)17/h2-7,15,18H,8-10H2,1H3
InChIKeyYGTHFWOMAZPVNK-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.33
Rot. Bonds7

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine (PubChem CID 43225249) 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]-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
PubChem CID43225249
Molecular FormulaC15H17F2NOS
Molecular Weight297.37 g/mol
Exact Mass297.10
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine
SMILESCc1ccc(CNCc2ccc(CSC(F)F)o2)cc1
InChIInChI=1S/C15H17F2NOS/c1-11-2-4-12(5-3-11)8-18-9-13-6-7-14(19-13)10-20-15(16)17/h2-7,15,18H,8-10H2,1H3
InChIKeyYGTHFWOMAZPVNK-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2,3-dimethylbutan-1-amine
CID 64569884
1-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]butan-2-ol
CID 113492063
3-[[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]methyl]benzonitrile
CID 60918218
1-[5-(difluoromethylsulfanylmethyl)furan-2-yl]-N-methoxymethanamine
CID 82706312
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 43225173
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-(3,4-dimethoxyphenyl)ethanamine
CID 119108718
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]-3-methylpentan-3-amine
CID 113237061
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-2-ethylsulfinylethanamine
CID 113237595
5-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methylamino]-2-methylpentan-1-ol
CID 103859480
N'-cyclopropyl-N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-N'-methylethane-1,2-diamine
CID 55140063

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine (CID 43225249) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine is Cc1ccc(CNCc2ccc(CSC(F)F)o2)cc1.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
The InChIKey is YGTHFWOMAZPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NOS/c1-11-2-4-12(5-3-11)8-18-9-13-6-7-14(19-13)10-20-15(16)17/h2-7,15,18H,8-10H2,1H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(4-methylphenyl)methanamine has a molecular weight of 297.37 g/mol, XLogP of 4.33, 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]-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 43225249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).