(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine

C12H18N2 — CID 117203939

IUPAC(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
SMILESCCN1c2c(CN)cccc2CC1C
InChIInChI=1S/C12H18N2/c1-3-14-9(2)7-10-5-4-6-11(8-13)12(10)14/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyGNXKYXUGISXKDH-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.92
Rot. Bonds2

About (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine

(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine (PubChem CID 117203939) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine.

Molecular Properties

Compound Name(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
PubChem CID117203939
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
SMILESCCN1c2c(CN)cccc2CC1C
InChIInChI=1S/C12H18N2/c1-3-14-9(2)7-10-5-4-6-11(8-13)12(10)14/h4-6,9H,3,7-8,13H2,1-2H3
InChIKeyGNXKYXUGISXKDH-UHFFFAOYSA-N
XLogP1.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine?
The IUPAC name of (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine (CID 117203939) is (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine.
What is the SMILES notation for (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine?
The canonical SMILES for (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine is CCN1c2c(CN)cccc2CC1C.
What is the InChIKey of (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine?
The InChIKey is GNXKYXUGISXKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-14-9(2)7-10-5-4-6-11(8-13)12(10)14/h4-6,9H,3,7-8,13H2,1-2H3.
What are the key properties of (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine?
(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine has a molecular weight of 190.29 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine is sourced from PubChem (CID 117203939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).