2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

C15H15F2NS — CID 103584823

IUPAC2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2cc(F)c(C)cc2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10-7-14(17)15(8-13(10)16)18-9-11-3-5-12(19-2)6-4-11/h3-8,18H,9H2,1-2H3
InChIKeyBHDMHHQFEYGHFW-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.61
Rot. Bonds4

About 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline

2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (PubChem CID 103584823) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
PubChem CID103584823
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
SMILESCSc1ccc(CNc2cc(F)c(C)cc2F)cc1
InChIInChI=1S/C15H15F2NS/c1-10-7-14(17)15(8-13(10)16)18-9-11-3-5-12(19-2)6-4-11/h3-8,18H,9H2,1-2H3
InChIKeyBHDMHHQFEYGHFW-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,5-difluoro-4-methylanilino)methyl]phenol
CID 103585182
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
2,6-difluoro-3-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 82815913
N-(1,3-benzodioxol-5-ylmethyl)-2,5-difluoro-4-methylaniline
CID 103584645
3,4-difluoro-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 29267990
4-methyl-3-[(4-methylsulfanylphenyl)methylamino]benzonitrile
CID 62103167
4-bromo-2,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 63448979
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
2-fluoro-N-[(4-fluorophenyl)methyl]-4-methylaniline
CID 28879321
2-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-nitroaniline
CID 2850630
4-chloro-2-fluoro-N-[(3-fluoro-4-methylphenyl)methyl]aniline
CID 63645041
2,5-difluoro-4-methyl-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 103585292

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The IUPAC name of 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline (CID 103584823) is 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline.
What is the SMILES notation for 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The canonical SMILES for 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is CSc1ccc(CNc2cc(F)c(C)cc2F)cc1.
What is the InChIKey of 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
The InChIKey is BHDMHHQFEYGHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-10-7-14(17)15(8-13(10)16)18-9-11-3-5-12(19-2)6-4-11/h3-8,18H,9H2,1-2H3.
What are the key properties of 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline?
2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline has a molecular weight of 279.36 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-methyl-N-[(4-methylsulfanylphenyl)methyl]aniline is sourced from PubChem (CID 103584823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).