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

C16H22N2S — CID 62427654

IUPACN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccccc2c1CN1CCC(C)C1
InChIInChI=1S/C16H22N2S/c1-12-7-8-18(10-12)11-14-13-5-3-4-6-15(13)19-16(14)9-17-2/h3-6,12,17H,7-11H2,1-2H3
InChIKeyYNZMTAHMKFQMRV-UHFFFAOYSA-N
MW274.43 g/mol
LogP3.46
Rot. Bonds4

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

N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (PubChem CID 62427654) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
PubChem CID62427654
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
SMILESCNCc1sc2ccccc2c1CN1CCC(C)C1
InChIInChI=1S/C16H22N2S/c1-12-7-8-18(10-12)11-14-13-5-3-4-6-15(13)19-16(14)9-17-2/h3-6,12,17H,7-11H2,1-2H3
InChIKeyYNZMTAHMKFQMRV-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-(thiomorpholin-4-ylmethyl)-1-benzothiophen-2-yl]methanamine
CID 62418648
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methyl]ethanamine
CID 103539725
1-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62434463
1-[3-(methoxymethyl)-1-benzothiophen-2-yl]-N-methylmethanamine
CID 62445616
N-methyl-1-[5-methyl-4-[(3-methylpyrrolidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 80728289
[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62974110
[4-fluoro-3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62428564
1-[1-[(3-chloro-1-benzothiophen-2-yl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 61205338
1-cyclopentyl-N-methyl-N-[[2-(methylaminomethyl)-1-benzothiophen-3-yl]methyl]methanamine
CID 63654913
3-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-1-benzothiophene-2-carboxylic acid
CID 114679074
3-methyl-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 23396966
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine
CID 62412418

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine (CID 62427654) is N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is CNCc1sc2ccccc2c1CN1CCC(C)C1.
What is the InChIKey of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
The InChIKey is YNZMTAHMKFQMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-12-7-8-18(10-12)11-14-13-5-3-4-6-15(13)19-16(14)9-17-2/h3-6,12,17H,7-11H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine?
N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine has a molecular weight of 274.43 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(3-methylpyrrolidin-1-yl)methyl]-1-benzothiophen-2-yl]methanamine is sourced from PubChem (CID 62427654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).