(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine

C12H14F3NS — CID 171211790

IUPAC(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C12H14F3NS/c13-12(14,15)17-11-4-2-1-3-9(11)10(16)7-8-5-6-8/h1-4,8,10H,5-7,16H2/t10-/m1/s1
InChIKeyJJQIQOXUMXMFLP-SNVBAGLBSA-N
MW261.31 g/mol
LogP4.10
Rot. Bonds4

About (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine

(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine (PubChem CID 171211790) has the molecular formula C12H14F3NS and a molecular weight of 261.31 g/mol. Its IUPAC name is (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
PubChem CID171211790
Molecular FormulaC12H14F3NS
Molecular Weight261.31 g/mol
Exact Mass261.08
IUPAC Name(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine
SMILESN[C@H](CC1CC1)c1ccccc1SC(F)(F)F
InChIInChI=1S/C12H14F3NS/c13-12(14,15)17-11-4-2-1-3-9(11)10(16)7-8-5-6-8/h1-4,8,10H,5-7,16H2/t10-/m1/s1
InChIKeyJJQIQOXUMXMFLP-SNVBAGLBSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171231397
(1S)-2-fluoro-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine;hydrochloride
CID 171211767
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
(S)-cyclobutyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 171231404
1-(2-bromophenyl)-2-cyclopropylethanamine
CID 64906387
(R)-cyclohexyl-[2-(trifluoromethylsulfanyl)phenyl]methanamine;hydrochloride
CID 171211805
2-[(1S)-1-amino-2-cyclopropylethyl]phenol;hydrochloride
CID 171220494
(1S)-1-[2-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171231380
(1R)-2-cyclopropyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]ethanamine
CID 171211426
1,2-bis(trifluoromethylsulfanyl)benzene
CID 90684724
(1S)-2-cyclopropyl-1-(2,3-difluorophenyl)ethanamine
CID 131113466
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794

Frequently Asked Questions

What is the IUPAC name of (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine?
The IUPAC name of (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine (CID 171211790) is (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine is N[C@H](CC1CC1)c1ccccc1SC(F)(F)F.
What is the InChIKey of (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine?
The InChIKey is JJQIQOXUMXMFLP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14F3NS/c13-12(14,15)17-11-4-2-1-3-9(11)10(16)7-8-5-6-8/h1-4,8,10H,5-7,16H2/t10-/m1/s1.
What are the key properties of (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine?
(1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine has a molecular weight of 261.31 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-cyclopropyl-1-[2-(trifluoromethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 171211790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).