(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine

C14H12F3NS — CID 115855341

IUPAC(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCSc1ccccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NS/c1-19-11-5-3-2-4-8(11)14(18)9-6-7-10(15)13(17)12(9)16/h2-7,14H,18H2,1H3
InChIKeyGOXJNSTZSSGAID-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.87
Rot. Bonds3

About (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine

(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine (PubChem CID 115855341) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
PubChem CID115855341
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine
SMILESCSc1ccccc1C(N)c1ccc(F)c(F)c1F
InChIInChI=1S/C14H12F3NS/c1-19-11-5-3-2-4-8(11)14(18)9-6-7-10(15)13(17)12(9)16/h2-7,14H,18H2,1H3
InChIKeyGOXJNSTZSSGAID-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105305698
(3-bromo-2-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115855266
(2-methylsulfanylphenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990698
(2-fluoro-5-methylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 115852670
(2,3-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 82106214
(5-fluoro-2-methylphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115852060
(4-ethylphenyl)-(2,3,4-trifluorophenyl)methanamine
CID 62963946
(2-ethoxyphenyl)-(2-methylsulfanylphenyl)methanamine
CID 115853757
(2,5-dichlorothiophen-3-yl)-(2,3,4-trifluorophenyl)methanamine
CID 79749284
(2-bromo-3,4-difluorophenyl)-(2-methylphenyl)methanamine
CID 107538762
(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
CID 105010938
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanamine
CID 107475989

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The IUPAC name of (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine (CID 115855341) is (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine.
What is the SMILES notation for (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The canonical SMILES for (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine is CSc1ccccc1C(N)c1ccc(F)c(F)c1F.
What is the InChIKey of (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine?
The InChIKey is GOXJNSTZSSGAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c1-19-11-5-3-2-4-8(11)14(18)9-6-7-10(15)13(17)12(9)16/h2-7,14H,18H2,1H3.
What are the key properties of (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine?
(2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine has a molecular weight of 283.32 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanamine is sourced from PubChem (CID 115855341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).