1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine

C18H22N2S — CID 102917638

IUPAC1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C18H22N2S/c1-2-16(19)13-14-5-6-18-15(12-14)7-9-20(18)10-8-17-4-3-11-21-17/h3-7,9,11-12,16H,2,8,10,13,19H2,1H3
InChIKeyBIGURUUVHNYGCL-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.23
Rot. Bonds6

About 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine

1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine (PubChem CID 102917638) 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-5-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
PubChem CID102917638
Molecular FormulaC18H22N2S
Molecular Weight298.45 g/mol
Exact Mass298.15
IUPAC Name1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine
SMILESCCC(N)Cc1ccc2c(ccn2CCc2cccs2)c1
InChIInChI=1S/C18H22N2S/c1-2-16(19)13-14-5-6-18-15(12-14)7-9-20(18)10-8-17-4-3-11-21-17/h3-7,9,11-12,16H,2,8,10,13,19H2,1H3
InChIKeyBIGURUUVHNYGCL-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

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Related Compounds

1-[1-(2-thiophen-2-ylethyl)indol-6-yl]butan-2-amine
CID 102917962
[1-(2-thiophen-2-ylethyl)indol-5-yl]methanol
CID 102912527
1-[1-[2-(2-methylpropoxy)ethyl]indol-5-yl]butan-2-amine
CID 106457576
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
1-(2-thiophen-2-ylethyl)indole-5-carboxylic acid
CID 63775889
5-nitro-1-(2-thiophen-2-ylethyl)indole
CID 116619096
1-[1-(oxolan-2-ylmethyl)indol-5-yl]butan-2-amine
CID 102917685
1-[1-(3-methylbutyl)indol-6-yl]butan-2-amine
CID 102917961
1-[1-(3-methylbutyl)indol-5-yl]propan-2-amine
CID 102917538
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
1-naphthalen-2-yl-5-thiophen-2-ylpentan-2-amine
CID 63526837
1-[1-(2-propoxyethyl)indol-6-yl]butan-2-amine
CID 106457583

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine?
The IUPAC name of 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine (CID 102917638) is 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine?
The canonical SMILES for 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine is CCC(N)Cc1ccc2c(ccn2CCc2cccs2)c1.
What is the InChIKey of 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine?
The InChIKey is BIGURUUVHNYGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2S/c1-2-16(19)13-14-5-6-18-15(12-14)7-9-20(18)10-8-17-4-3-11-21-17/h3-7,9,11-12,16H,2,8,10,13,19H2,1H3.
What are the key properties of 1-[1-(2-thiophen-2-ylethyl)indol-5-yl]butan-2-amine?
1-[1-(2-thiophen-2-ylethyl)indol-5-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-5-yl]butan-2-amine is sourced from PubChem (CID 102917638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).