3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine

C12H16F3NS — CID 103371676

IUPAC3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine
SMILESCc1ccccc1CSCC(CN)C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-9-4-2-3-5-10(9)7-17-8-11(6-16)12(13,14)15/h2-5,11H,6-8,16H2,1H3
InChIKeyYUQSYZCUVXMEPW-UHFFFAOYSA-N
MW263.33 g/mol
LogP3.37
Rot. Bonds5

About 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine

3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine (PubChem CID 103371676) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine
PubChem CID103371676
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine
SMILESCc1ccccc1CSCC(CN)C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-9-4-2-3-5-10(9)7-17-8-11(6-16)12(13,14)15/h2-5,11H,6-8,16H2,1H3
InChIKeyYUQSYZCUVXMEPW-UHFFFAOYSA-N
XLogP3.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
CID 63902283
[2-fluoro-3-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 107118915
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
[4-[(2-methylphenyl)methylsulfanylmethyl]phenyl]methanamine
CID 55112779
1-(2,5-dimethylphenyl)-2-[(2-methylphenyl)methylsulfanyl]ethanamine
CID 64634409
2,3-dimethyl-1-[(2-methylphenyl)methylsulfanyl]butan-2-ol
CID 114447547
2-fluoro-2-methyl-3-(2-methylphenyl)propan-1-amine
CID 84718573
1-methoxy-3-[(2-methylphenyl)methylsulfanyl]propan-2-ol
CID 63928381
1-methoxy-N-methyl-3-[(2-methylphenyl)methylsulfanyl]propan-2-amine
CID 107511414
2,2-dimethyl-3-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 79630032
3-amino-2-[(2-methylphenyl)methylsulfanyl]propanoic acid
CID 64695857
3,3,3-trifluoro-2-(2-methylphenyl)sulfanylpropan-1-amine
CID 60891622

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine (CID 103371676) is 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine is Cc1ccccc1CSCC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine?
The InChIKey is YUQSYZCUVXMEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-9-4-2-3-5-10(9)7-17-8-11(6-16)12(13,14)15/h2-5,11H,6-8,16H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine?
3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine has a molecular weight of 263.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methylphenyl)methylsulfanylmethyl]propan-1-amine is sourced from PubChem (CID 103371676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).