1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine

C14H18N2S — CID 116950981

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1csc2ccccc12)C1CCCN1
InChIInChI=1S/C14H18N2S/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-16H,4,6,8H2,1H3
InChIKeyKHLIKAWQTVQTQY-UHFFFAOYSA-N
MW246.38 g/mol
LogP2.91
Rot. Bonds3

About 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine

1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine (PubChem CID 116950981) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
PubChem CID116950981
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine
SMILESCNC(c1csc2ccccc12)C1CCCN1
InChIInChI=1S/C14H18N2S/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-16H,4,6,8H2,1H3
InChIKeyKHLIKAWQTVQTQY-UHFFFAOYSA-N
XLogP2.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzothiophen-3-yl)-1-cyclohexyl-N-methylmethanamine
CID 43485797
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopentyl)methanamine
CID 107177277
(1R)-1-(1-benzothiophen-3-yl)-N-methyl-1-[(1S,2S)-2-methylcyclopropyl]methanamine
CID 98219426
N-methyl-1-naphthalen-1-yl-1-piperidin-2-ylmethanamine
CID 116951227
1-(1-benzothiophen-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 55131784
(1R)-N-methyl-1-phenyl-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 132599012
N-methyl-1-(4-phenylphenyl)-1-pyrrolidin-2-ylmethanamine
CID 116950906
1-(1-benzothiophen-3-yl)-2-cyclobutyl-N-methylethanamine
CID 115863679
1-(2,4-dimethylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950884
[1-benzothiophen-3-yl(cyclohexyl)methyl]hydrazine
CID 105282068
1-(1-benzothiophen-3-yl)-2-cyclohexyl-N-methylethanamine
CID 43485761
1-(4-tert-butyl-2-methylphenyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 116950946

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine (CID 116950981) is 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine is CNC(c1csc2ccccc12)C1CCCN1.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
The InChIKey is KHLIKAWQTVQTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-15-14(12-6-4-8-16-12)11-9-17-13-7-3-2-5-10(11)13/h2-3,5,7,9,12,14-16H,4,6,8H2,1H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine?
1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine has a molecular weight of 246.38 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-1-pyrrolidin-2-ylmethanamine is sourced from PubChem (CID 116950981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).