N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

C15H18F3NS — CID 43691388

IUPACN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H18F3NS/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2
InChIKeyUBJHIVYYMWXTDR-UHFFFAOYSA-N
MW301.38 g/mol
LogP4.94
Rot. Bonds6

About N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 43691388) has the molecular formula C15H18F3NS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID43691388
Molecular FormulaC15H18F3NS
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC NameN-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NC(C1CC1)C1CC1
InChIInChI=1S/C15H18F3NS/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2
InChIKeyUBJHIVYYMWXTDR-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-2-ethylsulfanylaniline
CID 54865167
N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(dicyclopropylmethyl)-2-(trifluoromethyl)aniline
CID 43362736
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433063
2-[2-(dicyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722597
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiolan-3-amine
CID 43691344
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 43689188
N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 79707998
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]oxolan-3-amine
CID 55201542
2-bromo-N-(dicyclopropylmethyl)aniline
CID 43362785
N-(3,5-dimethylcyclohexyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 64751545

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 43691388) is N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is FC(F)(F)CSc1ccccc1NC(C1CC1)C1CC1.
What is the InChIKey of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is UBJHIVYYMWXTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NS/c16-15(17,18)9-20-13-4-2-1-3-12(13)19-14(10-5-6-10)11-7-8-11/h1-4,10-11,14,19H,5-9H2.
What are the key properties of N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 301.38 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 43691388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).