N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline

C15H15F2NS — CID 62577630

IUPACN-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline
SMILESCc1ccccc1NCCSc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-11-4-2-3-5-14(11)18-8-9-19-15-10-12(16)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyWPZJEALYWQBBAY-UHFFFAOYSA-N
MW279.36 g/mol
LogP4.48
Rot. Bonds5

About N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline

N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline (PubChem CID 62577630) has the molecular formula C15H15F2NS and a molecular weight of 279.36 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline
PubChem CID62577630
Molecular FormulaC15H15F2NS
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC NameN-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline
SMILESCc1ccccc1NCCSc1cc(F)ccc1F
InChIInChI=1S/C15H15F2NS/c1-11-4-2-3-5-14(11)18-8-9-19-15-10-12(16)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3
InChIKeyWPZJEALYWQBBAY-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-fluoroaniline
CID 62577432
N-[2-(4-fluorophenyl)sulfanylethyl]-2-methylaniline
CID 55024156
4-chloro-N-[2-(2,5-difluorophenyl)sulfanylethyl]aniline
CID 63517770
4-fluoro-N-[2-(2-methylphenyl)sulfanylethyl]aniline
CID 62577601
2-methyl-N-[2-(2-methylfuran-3-yl)sulfanylethyl]aniline
CID 107782529
2-methyl-N-[2-(4-methylphenyl)sulfanylethyl]aniline
CID 55194770
N-[2-(2,5-difluorophenyl)sulfanylethyl]-3-methylbutan-1-amine
CID 55092243
N-[2-(4-bromophenyl)sulfanylethyl]-2-methylaniline
CID 63517764
N-[2-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]-2-methylaniline
CID 103503442
N-[(4-fluoro-2-methylphenyl)methyl]-2-methylaniline
CID 62125415
2-methyl-N-(2-pyridin-2-ylsulfanylethyl)aniline
CID 62578988
2-methyl-N-(2-thiophen-2-ylsulfanylethyl)aniline
CID 62577112

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline?
The IUPAC name of N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline (CID 62577630) is N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline?
The canonical SMILES for N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline is Cc1ccccc1NCCSc1cc(F)ccc1F.
What is the InChIKey of N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline?
The InChIKey is WPZJEALYWQBBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NS/c1-11-4-2-3-5-14(11)18-8-9-19-15-10-12(16)6-7-13(15)17/h2-7,10,18H,8-9H2,1H3.
What are the key properties of N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline?
N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline has a molecular weight of 279.36 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)sulfanylethyl]-2-methylaniline is sourced from PubChem (CID 62577630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).