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

C14H18F3NS — CID 63433063

IUPACN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCC1CCCC1
InChIInChI=1S/C14H18F3NS/c15-14(16,17)10-19-13-8-4-3-7-12(13)18-9-11-5-1-2-6-11/h3-4,7-8,11,18H,1-2,5-6,9-10H2
InChIKeyGMUTWTNTLNULOG-UHFFFAOYSA-N
MW289.37 g/mol
LogP4.94
Rot. Bonds5

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

N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 63433063) has the molecular formula C14H18F3NS and a molecular weight of 289.37 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID63433063
Molecular FormulaC14H18F3NS
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC NameN-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESFC(F)(F)CSc1ccccc1NCC1CCCC1
InChIInChI=1S/C14H18F3NS/c15-14(16,17)10-19-13-8-4-3-7-12(13)18-9-11-5-1-2-6-11/h3-4,7-8,11,18H,1-2,5-6,9-10H2
InChIKeyGMUTWTNTLNULOG-UHFFFAOYSA-N
XLogP4.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-4-ylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 79707998
N-[(1-methylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 62656528
N-(dicyclopropylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691388
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
N-(3-methoxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102975645
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 43691329
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-2-carboxamide
CID 43704741
N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
2-[2-(cyclopropylmethylamino)phenyl]sulfanylacetamide
CID 43722610
N-(cyclohexylmethyl)-2-(trifluoromethylsulfonyl)aniline
CID 43427587
[4-[[2-(2,2,2-trifluoroethylsulfanyl)anilino]methyl]phenyl]methanol
CID 110006470
N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]thiolan-3-amine
CID 43691344

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 63433063) is N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is FC(F)(F)CSc1ccccc1NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is GMUTWTNTLNULOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NS/c15-14(16,17)10-19-13-8-4-3-7-12(13)18-9-11-5-1-2-6-11/h3-4,7-8,11,18H,1-2,5-6,9-10H2.
What are the key properties of N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 289.37 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 63433063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).