2,4-dimethyl-1H-indole;ethane

C12H17N — CID 91303970

IUPAC2,4-dimethyl-1H-indole;ethane
SMILESCC.Cc1cc2c(C)cccc2[nH]1
InChIInChI=1S/C10H11N.C2H6/c1-7-4-3-5-10-9(7)6-8(2)11-10;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyHNIWFGKDYRCAJA-UHFFFAOYSA-N
MW175.27 g/mol
LogP3.81
Rot. Bonds

About 2,4-dimethyl-1H-indole;ethane

2,4-dimethyl-1H-indole;ethane (PubChem CID 91303970) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 2,4-dimethyl-1H-indole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1H-indole;ethane
PubChem CID91303970
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name2,4-dimethyl-1H-indole;ethane
SMILESCC.Cc1cc2c(C)cccc2[nH]1
InChIInChI=1S/C10H11N.C2H6/c1-7-4-3-5-10-9(7)6-8(2)11-10;1-2/h3-6,11H,1-2H3;1-2H3
InChIKeyHNIWFGKDYRCAJA-UHFFFAOYSA-N
XLogP3.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
ethane;4-ethoxy-2-methyl-1H-indole
CID 171088293
2-(4-methyl-1H-indol-2-yl)ethanamine
CID 28806674
N,N-dimethyl-1-(2-methyl-1H-indol-4-yl)methanamine
CID 89305808
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728
4-methyl-2-(methylsulfonylmethyl)-1H-indole
CID 117184823
4-(ethoxymethyl)-2-methyl-1H-indole
CID 122222423
4-methoxy-2-methyl-1H-indole;2-methyl-1H-indole
CID 159600634
2-amino-1-(4-methyl-1H-indol-2-yl)ethanone
CID 82405076
9-methyl-6-phenyl-2-azatricyclo[11.4.0.03,8]heptadeca-1(17),3(8),4,6,9,11,13,15-octaene
CID 134390860
N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
CID 83822411
4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117184813

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1H-indole;ethane?
The IUPAC name of 2,4-dimethyl-1H-indole;ethane (CID 91303970) is 2,4-dimethyl-1H-indole;ethane.
What is the SMILES notation for 2,4-dimethyl-1H-indole;ethane?
The canonical SMILES for 2,4-dimethyl-1H-indole;ethane is CC.Cc1cc2c(C)cccc2[nH]1.
What is the InChIKey of 2,4-dimethyl-1H-indole;ethane?
The InChIKey is HNIWFGKDYRCAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C2H6/c1-7-4-3-5-10-9(7)6-8(2)11-10;1-2/h3-6,11H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1H-indole;ethane?
2,4-dimethyl-1H-indole;ethane has a molecular weight of 175.27 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1H-indole;ethane is sourced from PubChem (CID 91303970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).