2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine

C13H18N2O — CID 135333368

IUPAC2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
SMILESCOc1ccc(C)c2c1cc(C)n2CCN
InChIInChI=1S/C13H18N2O/c1-9-4-5-12(16-3)11-8-10(2)15(7-6-14)13(9)11/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXLAHJCNKSPRBDF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.23
Rot. Bonds3

About 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine

2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine (PubChem CID 135333368) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
PubChem CID135333368
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine
SMILESCOc1ccc(C)c2c1cc(C)n2CCN
InChIInChI=1S/C13H18N2O/c1-9-4-5-12(16-3)11-8-10(2)15(7-6-14)13(9)11/h4-5,8H,6-7,14H2,1-3H3
InChIKeyXLAHJCNKSPRBDF-UHFFFAOYSA-N
XLogP2.23
TPSA40.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine (CID 135333368) is 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine is COc1ccc(C)c2c1cc(C)n2CCN.
What is the InChIKey of 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine?
The InChIKey is XLAHJCNKSPRBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-4-5-12(16-3)11-8-10(2)15(7-6-14)13(9)11/h4-5,8H,6-7,14H2,1-3H3.
What are the key properties of 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine?
2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine has a molecular weight of 218.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,7-dimethylindol-1-yl)ethanamine is sourced from PubChem (CID 135333368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).