N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine

C16H18N2S — CID 11402988

IUPACN,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyTVWNCILTLJAONV-UHFFFAOYSA-N
MW270.40 g/mol
LogP4.00
Rot. Bonds4

About N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine

N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine (PubChem CID 11402988) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
PubChem CID11402988
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine
SMILESCN(C)CCc1c[nH]c2ccc(-c3cccs3)cc12
InChIInChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyTVWNCILTLJAONV-UHFFFAOYSA-N
XLogP4.00
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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5-(3-butylpyrrolidin-3-yl)-1H-indole
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5-(3-Benzylpyrrolidin-3-YL)-1H-indole (structural mix)
CID 44230732
Propyl-(6,7,8,9-tetrahydro-3H-benzo[e]indol-8-yl)-(2-thiophen-2-yl-ethyl)-amine
CID 10382523

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine (CID 11402988) is N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine is CN(C)CCc1c[nH]c2ccc(-c3cccs3)cc12.
What is the InChIKey of N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine?
The InChIKey is TVWNCILTLJAONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-18(2)8-7-13-11-17-15-6-5-12(10-14(13)15)16-4-3-9-19-16/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine?
N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine has a molecular weight of 270.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(5-thiophen-2-yl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 11402988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).