1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

C16H18N2S — CID 107235921

IUPAC1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H18N2S/c1-12-10-19-11-14(12)8-17-7-13-9-18(2)16-6-4-3-5-15(13)16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyAFUJBXLVNIWDBI-UHFFFAOYSA-N
MW270.40 g/mol
LogP3.84
Rot. Bonds4

About 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine

1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (PubChem CID 107235921) has the molecular formula C16H18N2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
PubChem CID107235921
Molecular FormulaC16H18N2S
Molecular Weight270.40 g/mol
Exact Mass270.12
IUPAC Name1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine
SMILESCc1cscc1CNCc1cn(C)c2ccccc12
InChIInChI=1S/C16H18N2S/c1-12-10-19-11-14(12)8-17-7-13-9-18(2)16-6-4-3-5-15(13)16/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyAFUJBXLVNIWDBI-UHFFFAOYSA-N
XLogP3.84
TPSA16.96 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-[(1-methylindol-3-yl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 107236288
4-[[(1-methylindol-3-yl)methylamino]methyl]aniline
CID 115212478
2-methyl-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236321
2-chloro-N-[(1-methylindol-3-yl)methyl]prop-2-en-1-amine
CID 107236179
2-N,2-dimethyl-1-N-[(1-methylindol-3-yl)methyl]propane-1,2-diamine
CID 115222251
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
2,3,3-trimethyl-N-[(1-methylindol-3-yl)methyl]butan-1-amine
CID 107236106
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
5-[(1-methylindol-3-yl)methylamino]pentanamide
CID 106233935
N-ethoxy-1-(1-methylindol-3-yl)methanamine
CID 107236064
N-[(1-methylindol-3-yl)methyl]-4-methylsulfanylbutan-1-amine
CID 107236224

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The IUPAC name of 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine (CID 107235921) is 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is Cc1cscc1CNCc1cn(C)c2ccccc12.
What is the InChIKey of 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
The InChIKey is AFUJBXLVNIWDBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2S/c1-12-10-19-11-14(12)8-17-7-13-9-18(2)16-6-4-3-5-15(13)16/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine?
1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine has a molecular weight of 270.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindol-3-yl)-N-[(4-methylthiophen-3-yl)methyl]methanamine is sourced from PubChem (CID 107235921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).