3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine

C13H15FN2S — CID 54953307

IUPAC3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cccc(F)c1N
InChIInChI=1S/C13H15FN2S/c1-9(7-10-5-6-17-8-10)16-12-4-2-3-11(14)13(12)15/h2-6,8-9,16H,7,15H2,1H3
InChIKeyLLITXXOZHLITBC-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.51
Rot. Bonds4

About 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine

3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 54953307) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID54953307
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cccc(F)c1N
InChIInChI=1S/C13H15FN2S/c1-9(7-10-5-6-17-8-10)16-12-4-2-3-11(14)13(12)15/h2-6,8-9,16H,7,15H2,1H3
InChIKeyLLITXXOZHLITBC-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
3-fluoro-1-N-[1-(4-fluorophenyl)propan-2-yl]benzene-1,2-diamine
CID 62996546
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
2-(difluoromethylsulfonyl)-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474487
2-chloro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62711700
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61474884
3-fluoro-1-N-heptan-2-ylbenzene-1,2-diamine
CID 61464315
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54952882
4-N-(1-thiophen-3-ylpropan-2-yl)quinazoline-2,4-diamine
CID 80800246
2-fluoro-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 47358916
3-fluoro-1-N-(2-methylpentan-3-yl)benzene-1,2-diamine
CID 61469418

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (CID 54953307) is 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is CC(Cc1ccsc1)Nc1cccc(F)c1N.
What is the InChIKey of 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is LLITXXOZHLITBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(7-10-5-6-17-8-10)16-12-4-2-3-11(14)13(12)15/h2-6,8-9,16H,7,15H2,1H3.
What are the key properties of 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 54953307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).