[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine

C15H14F3NOS — CID 115478175

IUPAC[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)13-2-1-3-14(8-13)21(20)10-12-6-4-11(9-19)5-7-12/h1-8H,9-10,19H2
InChIKeyJKSCXZABEPQHBV-UHFFFAOYSA-N
MW313.34 g/mol
LogP3.47
Rot. Bonds4

About [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine

[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine (PubChem CID 115478175) has the molecular formula C15H14F3NOS and a molecular weight of 313.34 g/mol. Its IUPAC name is [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
PubChem CID115478175
Molecular FormulaC15H14F3NOS
Molecular Weight313.34 g/mol
Exact Mass313.07
IUPAC Name[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
SMILESNCc1ccc(CS(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H14F3NOS/c16-15(17,18)13-2-1-3-14(8-13)21(20)10-12-6-4-11(9-19)5-7-12/h1-8H,9-10,19H2
InChIKeyJKSCXZABEPQHBV-UHFFFAOYSA-N
XLogP3.47
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115981205
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
3-bromo-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115478029
2-[1-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]cyclopropyl]ethanamine
CID 115478188
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
1-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]pyrrolidine
CID 21391063
2-methyl-N-[3-[3-(trifluoromethyl)phenyl]sulfinylpropyl]propan-2-amine
CID 115478052
CID 53444038
CID 53444038
1-[(4-tert-butylphenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 51113119
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]ethanamine
CID 58684611
2-[[3-(trifluoromethyl)phenyl]methylsulfinyl]aniline
CID 61366901
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine?
The IUPAC name of [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine (CID 115478175) is [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine.
What is the SMILES notation for [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine?
The canonical SMILES for [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine is NCc1ccc(CS(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine?
The InChIKey is JKSCXZABEPQHBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NOS/c16-15(17,18)13-2-1-3-14(8-13)21(20)10-12-6-4-11(9-19)5-7-12/h1-8H,9-10,19H2.
What are the key properties of [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine?
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine has a molecular weight of 313.34 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine is sourced from PubChem (CID 115478175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).