(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine

C14H12F3NS — CID 103302099

IUPAC(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCSc1ccc(C(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H12F3NS/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyONUPYRHNXDMMNU-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.87
Rot. Bonds3

About (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine

(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103302099) has the molecular formula C14H12F3NS and a molecular weight of 283.32 g/mol. Its IUPAC name is (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
PubChem CID103302099
Molecular FormulaC14H12F3NS
Molecular Weight283.32 g/mol
Exact Mass283.06
IUPAC Name(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine
SMILESCSc1ccc(C(N)c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C14H12F3NS/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3
InChIKeyONUPYRHNXDMMNU-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_1', 'substructure': 'N/A'}

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Related Compounds

(4-ethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301574
(4-fluoro-3-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79747463
(S)-thiophen-3-yl-(2,4,5-trifluorophenyl)methanamine
CID 171209924
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
(4-methylsulfanylphenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 115852240
(4,5-dimethoxy-2-methylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 79212717
(2,3-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115850522
(2-methoxyphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115793279
2-(4-methylsulfanylphenyl)propane-1,3-diamine
CID 54176621
[3-(aminomethyl)phenyl]-(4-methylsulfanylphenyl)methanamine
CID 116936981
3-[amino-(4-methylsulfanylphenyl)methyl]pyridin-4-amine
CID 106848437

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine (CID 103302099) is (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine is CSc1ccc(C(N)c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is ONUPYRHNXDMMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NS/c1-19-9-4-2-8(3-5-9)14(18)10-6-12(16)13(17)7-11(10)15/h2-7,14H,18H2,1H3.
What are the key properties of (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine?
(4-methylsulfanylphenyl)-(2,4,5-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 (4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103302099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).