[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine

C9H10F3NS — CID 162349795

IUPAC[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCSc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H10F3NS/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3
InChIKeyNUMIDVSIEWNSIX-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.89
Rot. Bonds2

About [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine

[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine (PubChem CID 162349795) has the molecular formula C9H10F3NS and a molecular weight of 221.25 g/mol. Its IUPAC name is [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
PubChem CID162349795
Molecular FormulaC9H10F3NS
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
SMILESCSc1cc(C(F)(F)F)ccc1CN
InChIInChI=1S/C9H10F3NS/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3
InChIKeyNUMIDVSIEWNSIX-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
1-bromo-3-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]propan-2-one
CID 166641037
[2-(2-methylpropyl)-4-(trifluoromethyl)phenyl]methanamine
CID 68512051
2-(aminomethyl)-N-propan-2-yl-4-(trifluoromethyl)aniline
CID 62103801
N-[2-(aminomethyl)-5-(trifluoromethyl)phenyl]hydroxylamine
CID 171931128
[4-methyl-2-(trifluoromethylsulfanyl)phenyl]methanamine
CID 170900093
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
CID 164892485
2-methylsulfanyl-4-(trifluoromethyl)benzoyl chloride
CID 15452082
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
[2-(3-methylphenyl)sulfanyl-5-(trifluoromethyl)phenyl]methanamine
CID 61245087
2-(aminomethyl)-N-methyl-N-pentan-3-yl-4-(trifluoromethyl)aniline
CID 43570550
2-(aminomethyl)-4-tert-butyl-6-methylsulfanylphenol
CID 12652152

Frequently Asked Questions

What is the IUPAC name of [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine (CID 162349795) is [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine is CSc1cc(C(F)(F)F)ccc1CN.
What is the InChIKey of [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is NUMIDVSIEWNSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NS/c1-14-8-4-7(9(10,11)12)3-2-6(8)5-13/h2-4H,5,13H2,1H3.
What are the key properties of [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine?
[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 221.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 162349795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).