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

C13H15FN2S — CID 62376964

IUPAC4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cc(F)ccc1N
InChIInChI=1S/C13H15FN2S/c1-9(6-10-4-5-17-8-10)16-13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3
InChIKeyXRVLEDZGNZDQNV-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.51
Rot. Bonds4

About 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine

4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (PubChem CID 62376964) has the molecular formula C13H15FN2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
PubChem CID62376964
Molecular FormulaC13H15FN2S
Molecular Weight250.34 g/mol
Exact Mass250.09
IUPAC Name4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
SMILESCC(Cc1ccsc1)Nc1cc(F)ccc1N
InChIInChI=1S/C13H15FN2S/c1-9(6-10-4-5-17-8-10)16-13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3
InChIKeyXRVLEDZGNZDQNV-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-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 54953307
1-N-(1-thiophen-3-ylpropan-2-yl)-4-(trifluoromethyl)benzene-1,2-diamine
CID 61474884
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
2-amino-3-fluoro-6-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 83215271
N-[1-(2,5-difluorophenyl)ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61472940
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
3-fluoro-5-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 61474560
5-fluoro-2-[1-(1-thiophen-3-ylpropan-2-ylamino)ethyl]phenol
CID 63067487
N-[(2-bromo-4-fluorophenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 54953234
4-amino-3-[1-(4-fluorophenyl)propan-2-ylamino]benzoic acid
CID 82776318
2-(difluoromethyl)-4-nitro-N-(1-thiophen-3-ylpropan-2-yl)aniline
CID 63736320

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The IUPAC name of 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine (CID 62376964) is 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine.
What is the SMILES notation for 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The canonical SMILES for 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is CC(Cc1ccsc1)Nc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
The InChIKey is XRVLEDZGNZDQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2S/c1-9(6-10-4-5-17-8-10)16-13-7-11(14)2-3-12(13)15/h2-5,7-9,16H,6,15H2,1H3.
What are the key properties of 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine?
4-fluoro-2-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 4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine is sourced from PubChem (CID 62376964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).