2-(4,6-dimethylindol-1-yl)ethanamine

C12H16N2 — CID 82490848

IUPAC2-(4,6-dimethylindol-1-yl)ethanamine
SMILESCc1cc(C)c2ccn(CCN)c2c1
InChIInChI=1S/C12H16N2/c1-9-7-10(2)11-3-5-14(6-4-13)12(11)8-9/h3,5,7-8H,4,6,13H2,1-2H3
InChIKeyLWZQWXYJZAYVAA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.22
Rot. Bonds2

About 2-(4,6-dimethylindol-1-yl)ethanamine

2-(4,6-dimethylindol-1-yl)ethanamine (PubChem CID 82490848) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4,6-dimethylindol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4,6-dimethylindol-1-yl)ethanamine
PubChem CID82490848
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4,6-dimethylindol-1-yl)ethanamine
SMILESCc1cc(C)c2ccn(CCN)c2c1
InChIInChI=1S/C12H16N2/c1-9-7-10(2)11-3-5-14(6-4-13)12(11)8-9/h3,5,7-8H,4,6,13H2,1-2H3
InChIKeyLWZQWXYJZAYVAA-UHFFFAOYSA-N
XLogP2.22
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4,6-dimethylindole
CID 118407006
2-(5,7-dimethylindol-1-yl)ethanamine
CID 82490847
2-(5-methylindol-1-yl)ethanamine;hydrochloride
CID 91640635
4-(4-methylindol-1-yl)butan-1-amine
CID 43163516
2-(6-methoxy-3-methylindol-1-yl)ethanamine
CID 82491960
3-(5,7-dimethylindol-1-yl)propan-1-amine
CID 82491687
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650
4-(5,7-dimethylindol-1-yl)butan-1-amine
CID 83968682
3-[1-(2-aminoethyl)-6-methylindol-3-yl]propan-1-ol
CID 83945302
4,6-dimethyl-1-phenylindole;ethane
CID 156724635
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
2-(5-chloro-7-methylindol-1-yl)ethanamine
CID 130281365

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylindol-1-yl)ethanamine?
The IUPAC name of 2-(4,6-dimethylindol-1-yl)ethanamine (CID 82490848) is 2-(4,6-dimethylindol-1-yl)ethanamine.
What is the SMILES notation for 2-(4,6-dimethylindol-1-yl)ethanamine?
The canonical SMILES for 2-(4,6-dimethylindol-1-yl)ethanamine is Cc1cc(C)c2ccn(CCN)c2c1.
What is the InChIKey of 2-(4,6-dimethylindol-1-yl)ethanamine?
The InChIKey is LWZQWXYJZAYVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-7-10(2)11-3-5-14(6-4-13)12(11)8-9/h3,5,7-8H,4,6,13H2,1-2H3.
What are the key properties of 2-(4,6-dimethylindol-1-yl)ethanamine?
2-(4,6-dimethylindol-1-yl)ethanamine has a molecular weight of 188.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylindol-1-yl)ethanamine is sourced from PubChem (CID 82490848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).