3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine

C12H12F2N2S — CID 115506741

IUPAC3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCc1ccsc1
InChIInChI=1S/C12H12F2N2S/c13-9-5-10(14)12(15)11(6-9)16-3-1-8-2-4-17-7-8/h2,4-7,16H,1,3,15H2
InChIKeyAQMZTDQLNBVWKN-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.26
Rot. Bonds4

About 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine

3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine (PubChem CID 115506741) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
PubChem CID115506741
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
SMILESNc1c(F)cc(F)cc1NCCc1ccsc1
InChIInChI=1S/C12H12F2N2S/c13-9-5-10(14)12(15)11(6-9)16-3-1-8-2-4-17-7-8/h2,4-7,16H,1,3,15H2
InChIKeyAQMZTDQLNBVWKN-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine 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-Fluoro-6-[(2-thienylmethyl)amino]benzonitrile
CID 566162
3-Anilino-2-(3-thienyl)acrylonitrile
CID 2766384
1-(4-Fluorophenyl)-4-[(5-methylthiophen-3-yl)methyl]piperazine
CID 16019107
N-[[4-(anilinomethyl)thiophen-3-yl]methyl]aniline
CID 155543006
2-fluoro-N-[[5-[(2-fluoroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155543388
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 9117763
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-thiophen-3-ylacetamide
CID 24687836
Enstamine
CID 23489
4-methyl-N-[(thiophen-2-yl)methyl]aniline
CID 914053
2-nitro-N-(thiophen-3-ylmethyl)-4-(trifluoromethyl)aniline
CID 43805017
4-fluoro-N-[[4-[(4-fluoroanilino)methyl]thiophen-3-yl]methyl]aniline
CID 155518020
4-fluoro-N-[[5-[(4-fluoroanilino)methyl]thiophen-2-yl]methyl]aniline
CID 155542756

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine?
The IUPAC name of 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine (CID 115506741) is 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine is Nc1c(F)cc(F)cc1NCCc1ccsc1.
What is the InChIKey of 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine?
The InChIKey is AQMZTDQLNBVWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c13-9-5-10(14)12(15)11(6-9)16-3-1-8-2-4-17-7-8/h2,4-7,16H,1,3,15H2.
What are the key properties of 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine?
3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine has a molecular weight of 254.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-1-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 115506741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).