N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine

C16H18N2S — CID 18007589

IUPACN,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine
SMILESCN(C)CCn1ccc2ccc(-c3ccsc3)cc21
InChIInChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyCLSIBRBBGYDTFD-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.93
Rot. Bonds4

About N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine

N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine (PubChem CID 18007589) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine
PubChem CID18007589
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC NameN,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine
SMILESCN(C)CCn1ccc2ccc(-c3ccsc3)cc21
InChIInChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3
InChIKeyCLSIBRBBGYDTFD-UHFFFAOYSA-N
XLogP3.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine (CID 18007589) is N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine is CN(C)CCn1ccc2ccc(-c3ccsc3)cc21.
What is the InChIKey of N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine?
The InChIKey is CLSIBRBBGYDTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-17(2)8-9-18-7-5-13-3-4-14(11-16(13)18)15-6-10-19-12-15/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine?
N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine has a molecular weight of 270.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(6-thiophen-3-ylindol-1-yl)ethanamine is sourced from PubChem (CID 18007589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).