1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

C17H24N2S — CID 106024105

IUPAC1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCc1c(C(C)NCC2CCCN2C)sc2ccccc12
InChIInChI=1S/C17H24N2S/c1-12-15-8-4-5-9-16(15)20-17(12)13(2)18-11-14-7-6-10-19(14)3/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3
InChIKeyWHLHDJZMRLWVIX-UHFFFAOYSA-N
MW288.46 g/mol
LogP3.95
Rot. Bonds4

About 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine

1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (PubChem CID 106024105) has the molecular formula C17H24N2S and a molecular weight of 288.46 g/mol. Its IUPAC name is 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
PubChem CID106024105
Molecular FormulaC17H24N2S
Molecular Weight288.46 g/mol
Exact Mass288.17
IUPAC Name1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
SMILESCc1c(C(C)NCC2CCCN2C)sc2ccccc12
InChIInChI=1S/C17H24N2S/c1-12-15-8-4-5-9-16(15)20-17(12)13(2)18-11-14-7-6-10-19(14)3/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3
InChIKeyWHLHDJZMRLWVIX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methyl-1-benzothiophen-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43765466
1-(3-methyl-1-benzothiophen-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 63727312
N-(2-cyclopentylethyl)-1-(3-methyl-1-benzothiophen-2-yl)ethanamine
CID 63450474
[2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]cyclohexyl]methanol
CID 106359765
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]cyclobutanamine
CID 62415142
3-methyl-N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]butan-1-amine
CID 43760500
N-[1-(3-methyl-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 82684826
(1R)-1-(4-methylphenyl)-N-[(1-methylpiperidin-2-yl)methyl]ethanamine
CID 81349160
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
1-(3-methyl-1-benzothiophen-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 61004429
1-(3-chlorophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 113260530
1-(3-methyl-1-benzothiophen-2-yl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 63332721

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The IUPAC name of 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine (CID 106024105) is 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is Cc1c(C(C)NCC2CCCN2C)sc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
The InChIKey is WHLHDJZMRLWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S/c1-12-15-8-4-5-9-16(15)20-17(12)13(2)18-11-14-7-6-10-19(14)3/h4-5,8-9,13-14,18H,6-7,10-11H2,1-3H3.
What are the key properties of 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine?
1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine has a molecular weight of 288.46 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzothiophen-2-yl)-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine is sourced from PubChem (CID 106024105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).