1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine

C16H19FN2S — CID 103494115

IUPAC1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H19FN2S/c1-2-14(18)16(12-6-8-20-10-12)19-7-5-11-3-4-13(17)9-15(11)19/h3-4,6,8-10,14,16H,2,5,7,18H2,1H3
InChIKeyDSQUSUYIRUWURN-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.73
Rot. Bonds4

About 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine

1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine (PubChem CID 103494115) has the molecular formula C16H19FN2S and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine
PubChem CID103494115
Molecular FormulaC16H19FN2S
Molecular Weight290.41 g/mol
Exact Mass290.13
IUPAC Name1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine
SMILESCCC(N)C(c1ccsc1)N1CCc2ccc(F)cc21
InChIInChI=1S/C16H19FN2S/c1-2-14(18)16(12-6-8-20-10-12)19-7-5-11-3-4-13(17)9-15(11)19/h3-4,6,8-10,14,16H,2,5,7,18H2,1H3
InChIKeyDSQUSUYIRUWURN-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-2-amine
CID 103494158
1-(1,3-dihydroisoindol-2-yl)-1-thiophen-3-ylbutan-2-amine
CID 62204273
1-(4-butan-2-ylpiperazin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 62772448
1-(3-chlorophenyl)-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-2-amine
CID 103494129
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-thiophen-3-ylbutan-2-amine
CID 114462399
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
CID 103504800
2-(6-fluoro-2,3-dihydroindol-1-yl)-N-methyl-2-phenylethanamine
CID 103503159
2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)butan-1-one
CID 103796148
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
1-[4-(methoxymethyl)piperidin-1-yl]-1-thiophen-3-ylbutan-2-amine
CID 63973621
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-7-fluoro-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134307210

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine (CID 103494115) is 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine is CCC(N)C(c1ccsc1)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine?
The InChIKey is DSQUSUYIRUWURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2S/c1-2-14(18)16(12-6-8-20-10-12)19-7-5-11-3-4-13(17)9-15(11)19/h3-4,6,8-10,14,16H,2,5,7,18H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine?
1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine has a molecular weight of 290.41 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydroindol-1-yl)-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 103494115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).