2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline

C10H13F3N2S — CID 102689474

IUPAC2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline
SMILESCC(N)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2S/c1-6(14)5-16-9-3-2-7(4-8(9)15)10(11,12)13/h2-4,6H,5,14-15H2,1H3
InChIKeySBVOALHWGBOFDJ-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.73
Rot. Bonds3

About 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline

2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline (PubChem CID 102689474) has the molecular formula C10H13F3N2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline
PubChem CID102689474
Molecular FormulaC10H13F3N2S
Molecular Weight250.29 g/mol
Exact Mass250.08
IUPAC Name2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline
SMILESCC(N)CSc1ccc(C(F)(F)F)cc1N
InChIInChI=1S/C10H13F3N2S/c1-6(14)5-16-9-3-2-7(4-8(9)15)10(11,12)13/h2-4,6H,5,14-15H2,1H3
InChIKeySBVOALHWGBOFDJ-UHFFFAOYSA-N
XLogP2.73
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline 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

2-(3-methylbutylsulfanyl)-5-(trifluoromethyl)aniline
CID 43134932
2-(2,2,2-trifluoroethylsulfanyl)-5-(trifluoromethyl)aniline
CID 43134972
2-(methoxymethylsulfanyl)-5-(trifluoromethyl)aniline
CID 65364388
[2-amino-4-(trifluoromethyl)phenyl]sulfanylmethyl-trifluoroboranuide
CID 63704203
2-pentylsulfanyl-5-(trifluoromethyl)aniline
CID 43134930
2-but-2-enylsulfanyl-5-(trifluoromethyl)aniline
CID 74860130
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanylacetamide
CID 43134958
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-methyl-N-propan-2-ylacetamide
CID 43247392
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(2-methylpropyl)acetamide
CID 43247404
3-[2-amino-4-(trifluoromethyl)phenyl]sulfanylpropanoic acid
CID 61320071

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline (CID 102689474) is 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline is CC(N)CSc1ccc(C(F)(F)F)cc1N.
What is the InChIKey of 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline?
The InChIKey is SBVOALHWGBOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2S/c1-6(14)5-16-9-3-2-7(4-8(9)15)10(11,12)13/h2-4,6H,5,14-15H2,1H3.
What are the key properties of 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline?
2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline has a molecular weight of 250.29 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropylsulfanyl)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 102689474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).