1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine

C11H13ClF3NS — CID 116627770

IUPAC1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
SMILESNC(CCSC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NS/c12-9-3-1-8(2-4-9)7-10(16)5-6-17-11(13,14)15/h1-4,10H,5-7,16H2
InChIKeyQAEFFVWUAKITMI-UHFFFAOYSA-N
MW283.75 g/mol
LogP3.85
Rot. Bonds5

About 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine

1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine (PubChem CID 116627770) has the molecular formula C11H13ClF3NS and a molecular weight of 283.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
PubChem CID116627770
Molecular FormulaC11H13ClF3NS
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine
SMILESNC(CCSC(F)(F)F)Cc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClF3NS/c12-9-3-1-8(2-4-9)7-10(16)5-6-17-11(13,14)15/h1-4,10H,5-7,16H2
InChIKeyQAEFFVWUAKITMI-UHFFFAOYSA-N
XLogP3.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-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

p-Chloroamphetamine
CID 3127
trans-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11241513
cis-2-(4-Chlorophenyl)-2-fluorocyclopropanamine
CID 11390419
2-(4-Chlorophenyl)-2-fluoro-cyclopropylamine
CID 44398212
2-(2-Chloro-6-fluorobenzylthio)ethylamine
CID 2736553
4-Chloro-alpha-ethylbenzeneethanamine
CID 150989
1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine
CID 24693275
(R)-1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine
CID 28178665
(S)-1-(4-Chlorophenyl)-2,2,2-trifluoroethanamine hydrochloride
CID 42614356
1-(4-Chlorophenyl)-2,2,2-trifluoroethan-1-amine hydrochloride
CID 46835184
2-(4-Chlorophenyl)-2,2-difluoroethan-1-amine
CID 72214419
2-Amino-1-(4-chlorophenyl)-3-fluoropropane
CID 131272

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine (CID 116627770) is 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine is NC(CCSC(F)(F)F)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine?
The InChIKey is QAEFFVWUAKITMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NS/c12-9-3-1-8(2-4-9)7-10(16)5-6-17-11(13,14)15/h1-4,10H,5-7,16H2.
What are the key properties of 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine?
1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine has a molecular weight of 283.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(trifluoromethylsulfanyl)butan-2-amine is sourced from PubChem (CID 116627770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).