1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine

C16H18ClFN2S — CID 103494158

IUPAC1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H18ClFN2S/c1-2-12(19)16(14-5-6-15(17)21-14)20-8-7-10-3-4-11(18)9-13(10)20/h3-6,9,12,16H,2,7-8,19H2,1H3
InChIKeyMLWGUAPOZDHFGU-UHFFFAOYSA-N
MW324.85 g/mol
LogP4.38
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine

1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine (PubChem CID 103494158) has the molecular formula C16H18ClFN2S and a molecular weight of 324.85 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
PubChem CID103494158
Molecular FormulaC16H18ClFN2S
Molecular Weight324.85 g/mol
Exact Mass324.09
IUPAC Name1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
SMILESCCC(N)C(c1ccc(Cl)s1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H18ClFN2S/c1-2-12(19)16(14-5-6-15(17)21-14)20-8-7-10-3-4-11(18)9-13(10)20/h3-6,9,12,16H,2,7-8,19H2,1H3
InChIKeyMLWGUAPOZDHFGU-UHFFFAOYSA-N
XLogP4.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine (CID 103494158) is 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine is CCC(N)C(c1ccc(Cl)s1)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine?
The InChIKey is MLWGUAPOZDHFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2S/c1-2-12(19)16(14-5-6-15(17)21-14)20-8-7-10-3-4-11(18)9-13(10)20/h3-6,9,12,16H,2,7-8,19H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine?
1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine has a molecular weight of 324.85 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine is sourced from PubChem (CID 103494158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).