5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine

C16H20FNS — CID 156849941

IUPAC5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine
SMILESCC(C)Nc1cc(-c2ccc(F)cc2)sc1C(C)C
InChIInChI=1S/C16H20FNS/c1-10(2)16-14(18-11(3)4)9-15(19-16)12-5-7-13(17)8-6-12/h5-11,18H,1-4H3
InChIKeyUPWGOGPQSBIODB-UHFFFAOYSA-N
MW277.41 g/mol
LogP5.50
Rot. Bonds4

About 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine

5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine (PubChem CID 156849941) has the molecular formula C16H20FNS and a molecular weight of 277.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine
PubChem CID156849941
Molecular FormulaC16H20FNS
Molecular Weight277.41 g/mol
Exact Mass277.13
IUPAC Name5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine
SMILESCC(C)Nc1cc(-c2ccc(F)cc2)sc1C(C)C
InChIInChI=1S/C16H20FNS/c1-10(2)16-14(18-11(3)4)9-15(19-16)12-5-7-13(17)8-6-12/h5-11,18H,1-4H3
InChIKeyUPWGOGPQSBIODB-UHFFFAOYSA-N
XLogP5.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.41
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine?
The IUPAC name of 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine (CID 156849941) is 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine?
The canonical SMILES for 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine is CC(C)Nc1cc(-c2ccc(F)cc2)sc1C(C)C.
What is the InChIKey of 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine?
The InChIKey is UPWGOGPQSBIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNS/c1-10(2)16-14(18-11(3)4)9-15(19-16)12-5-7-13(17)8-6-12/h5-11,18H,1-4H3.
What are the key properties of 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine?
5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine has a molecular weight of 277.41 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N,2-di(propan-2-yl)thiophen-3-amine is sourced from PubChem (CID 156849941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).