N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine

C12H18N2 — CID 117198308

IUPACN-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
SMILESCNCCC1Cc2c(C)cccc2N1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-12-11(9)8-10(14-12)6-7-13-2/h3-5,10,13-14H,6-8H2,1-2H3
InChIKeyKETBXTYDGXWWKQ-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.94
Rot. Bonds3

About N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine

N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine (PubChem CID 117198308) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
PubChem CID117198308
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine
SMILESCNCCC1Cc2c(C)cccc2N1
InChIInChI=1S/C12H18N2/c1-9-4-3-5-12-11(9)8-10(14-12)6-7-13-2/h3-5,10,13-14H,6-8H2,1-2H3
InChIKeyKETBXTYDGXWWKQ-UHFFFAOYSA-N
XLogP1.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine?
The IUPAC name of N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine (CID 117198308) is N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine.
What is the SMILES notation for N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine?
The canonical SMILES for N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine is CNCCC1Cc2c(C)cccc2N1.
What is the InChIKey of N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine?
The InChIKey is KETBXTYDGXWWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-4-3-5-12-11(9)8-10(14-12)6-7-13-2/h3-5,10,13-14H,6-8H2,1-2H3.
What are the key properties of N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine?
N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine has a molecular weight of 190.29 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2,3-dihydro-1H-indol-2-yl)ethanamine is sourced from PubChem (CID 117198308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).