[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine

C16H18N2S — CID 22689319

IUPAC[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
SMILESCn1c(CCc2cccs2)c(CN)c2ccccc21
InChIInChI=1S/C16H18N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9,11,17H2,1H3
InChIKeyAQBZXUSXRYIUFM-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.48
Rot. Bonds4

About [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine

[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine (PubChem CID 22689319) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
PubChem CID22689319
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
SMILESCn1c(CCc2cccs2)c(CN)c2ccccc21
InChIInChI=1S/C16H18N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9,11,17H2,1H3
InChIKeyAQBZXUSXRYIUFM-UHFFFAOYSA-N
XLogP3.48
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-(2-thiophen-2-ylethyl)indole-3-carbonitrile
CID 22689226
[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
CID 174540584
2-(1,2-dimethylindol-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110768844
[1-(2-thiophen-2-ylethyl)imidazol-4-yl]methanamine
CID 82470461
1-(2-thiophen-2-ylethyl)-3,1-benzoxazine-2,4-dione
CID 11687680
2-butylthiophene;methanamine
CID 143080300
[1-(1-methylindazol-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103129680
1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
(2-chloro-1-methylindol-3-yl)methanamine;methanesulfonic acid
CID 17385282
N-[[2-(aminomethyl)-1-benzothiophen-3-yl]methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 79490617
1-(1-methylindazol-3-yl)-2-thiophen-2-ylethanol
CID 103128674

Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine?
The IUPAC name of [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine (CID 22689319) is [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine.
What is the SMILES notation for [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine?
The canonical SMILES for [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine is Cn1c(CCc2cccs2)c(CN)c2ccccc21.
What is the InChIKey of [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine?
The InChIKey is AQBZXUSXRYIUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-18-15-7-3-2-6-13(15)14(11-17)16(18)9-8-12-5-4-10-19-12/h2-7,10H,8-9,11,17H2,1H3.
What are the key properties of [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine?
[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine has a molecular weight of 270.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine is sourced from PubChem (CID 22689319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).