1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine

C18H22N2S — CID 102917962

IUPAC1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CCc3cccs3)c2c1
InChIInChI=1S/C18H22N2S/c1-2-16(19)12-14-5-6-15-7-9-20(18(15)13-14)10-8-17-4-3-11-21-17/h3-7,9,11,13,16H,2,8,10,12,19H2,1H3
InChIKeyXPFKGARTFHOSBC-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.23
Rot. Bonds6

About 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine

1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine (PubChem CID 102917962) has the molecular formula C18H22N2S and a molecular weight of 298.45 g/mol. Its IUPAC name is 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
PubChem CID102917962
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2ccn(CCc3cccs3)c2c1
InChIInChI=1S/C18H22N2S/c1-2-16(19)12-14-5-6-15-7-9-20(18(15)13-14)10-8-17-4-3-11-21-17/h3-7,9,11,13,16H,2,8,10,12,19H2,1H3
InChIKeyXPFKGARTFHOSBC-UHFFFAOYSA-N
XLogP4.23
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
CID 102917638
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583
1-[1-(2-methylbutyl)indol-6-yl]butan-2-amine
CID 102917956
1-[1-(2-methoxypropyl)indol-6-yl]butan-2-amine
CID 102917957
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
[1-(2-thiophen-2-ylethyl)indol-5-yl]methanol
CID 102912527
1-[1-[(1-methyltriazol-4-yl)methyl]indol-6-yl]butan-2-amine
CID 107053885
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]indol-6-yl]propan-2-amine
CID 103015092
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine (CID 102917962) is 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine is CCC(N)Cc1ccc2ccn(CCc3cccs3)c2c1.
What is the InChIKey of 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine?
The InChIKey is XPFKGARTFHOSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-16(19)12-14-5-6-15-7-9-20(18(15)13-14)10-8-17-4-3-11-21-17/h3-7,9,11,13,16H,2,8,10,12,19H2,1H3.
What are the key properties of 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine?
1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine has a molecular weight of 298.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine is sourced from PubChem (CID 102917962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).