5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine

C13H18F3NS — CID 123512509

IUPAC5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCSc1cc(CCCC(C)N)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NS/c1-9(17)4-3-5-10-6-11(13(14,15)16)8-12(7-10)18-2/h6-9H,3-5,17H2,1-2H3
InChIKeyCPBJSWGLADKSJK-UHFFFAOYSA-N
MW277.36 g/mol
LogP4.10
Rot. Bonds5

About 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine

5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 123512509) has the molecular formula C13H18F3NS and a molecular weight of 277.36 g/mol. Its IUPAC name is 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound Name5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID123512509
Molecular FormulaC13H18F3NS
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC Name5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCSc1cc(CCCC(C)N)cc(C(F)(F)F)c1
InChIInChI=1S/C13H18F3NS/c1-9(17)4-3-5-10-6-11(13(14,15)16)8-12(7-10)18-2/h6-9H,3-5,17H2,1-2H3
InChIKeyCPBJSWGLADKSJK-UHFFFAOYSA-N
XLogP4.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-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

5-(3-methyl-5-methylsulfanylphenyl)pentan-2-amine
CID 123273129
5-[4-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine
CID 123889780
(2S)-4-[3-tert-butyl-5-(trifluoromethyl)phenyl]butan-2-amine
CID 90210058
5-[3-methyl-5-(trifluoromethylsulfanyl)phenyl]pentan-2-amine
CID 123581851
(2R)-5-[3-tert-butyl-5-(chloromethyl)phenyl]pentan-2-amine
CID 90210403
(2S)-5-[3-tert-butyl-5-(2-methylpropyl)phenyl]pentan-2-amine
CID 90210507
2-[(2S)-5-[3-methyl-5-(trifluoromethyl)phenyl]pentan-2-yl]guanidine
CID 90212741
(2S)-1-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]hexane-1,2,5-triamine;hydrochloride
CID 137499210
3-[(2S)-2-aminopropyl]-5-(trifluoromethyl)phenol
CID 131614389
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-tert-butyl-3-ethyl-5-methylsulfanylbenzene
CID 166752688
N,N-dimethyl-3-[3-methyl-5-(trifluoromethyl)phenyl]propan-1-amine
CID 58563398

Frequently Asked Questions

What is the IUPAC name of 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine (CID 123512509) is 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine is CSc1cc(CCCC(C)N)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is CPBJSWGLADKSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NS/c1-9(17)4-3-5-10-6-11(13(14,15)16)8-12(7-10)18-2/h6-9H,3-5,17H2,1-2H3.
What are the key properties of 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine?
5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 277.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methylsulfanyl-5-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 123512509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).