4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline

C13H19F2NS — CID 43673018

IUPAC4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H19F2NS/c1-3-4-10(2)9-16-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyURHDNJGQQSNKHS-UHFFFAOYSA-N
MW259.37 g/mol
LogP4.85
Rot. Bonds7

About 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline

4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline (PubChem CID 43673018) has the molecular formula C13H19F2NS and a molecular weight of 259.37 g/mol. Its IUPAC name is 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline.

Molecular Properties

Compound Name4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
PubChem CID43673018
Molecular FormulaC13H19F2NS
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
SMILESCCCC(C)CNc1ccc(SC(F)F)cc1
InChIInChI=1S/C13H19F2NS/c1-3-4-10(2)9-16-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3
InChIKeyURHDNJGQQSNKHS-UHFFFAOYSA-N
XLogP4.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpentyl)-4-propan-2-ylaniline
CID 43103738
2-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline
CID 43095111
4-butyl-N-(2-methylpentyl)aniline
CID 43108404
4-(2-methylpentylamino)benzamide
CID 43201058
6-methyl-N-[(2R)-2-methylpentyl]pyridin-3-amine
CID 96903071
N-(2-methylpentyl)-4-pyrazol-1-ylaniline
CID 43688134
propan-2-yl 4-(2-methylpentylamino)benzoate
CID 43684020
3-[4-(difluoromethylsulfanyl)anilino]-2,2-dimethylpropan-1-ol
CID 81414271
4-(difluoromethylsulfanyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66412293
3-fluoro-4-methoxy-N-(2-methylpentyl)aniline
CID 43380460
N-[4-(difluoromethylsulfanyl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62851819
3-methyl-N-(2-methylpentyl)aniline
CID 43103474

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline?
The IUPAC name of 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline (CID 43673018) is 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline.
What is the SMILES notation for 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline?
The canonical SMILES for 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline is CCCC(C)CNc1ccc(SC(F)F)cc1.
What is the InChIKey of 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline?
The InChIKey is URHDNJGQQSNKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NS/c1-3-4-10(2)9-16-11-5-7-12(8-6-11)17-13(14)15/h5-8,10,13,16H,3-4,9H2,1-2H3.
What are the key properties of 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline?
4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline has a molecular weight of 259.37 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylsulfanyl)-N-(2-methylpentyl)aniline is sourced from PubChem (CID 43673018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).