3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol

C12H16N2O — CID 96618503

IUPAC3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol
SMILESCc1[nH]c2c(O)cccc2c1C(C)(C)N
InChIInChI=1S/C12H16N2O/c1-7-10(12(2,3)13)8-5-4-6-9(15)11(8)14-7/h4-6,14-15H,13H2,1-3H3
InChIKeyMDFQXXAPUNZDAM-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.38
Rot. Bonds1

About 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol

3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol (PubChem CID 96618503) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol
PubChem CID96618503
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol
SMILESCc1[nH]c2c(O)cccc2c1C(C)(C)N
InChIInChI=1S/C12H16N2O/c1-7-10(12(2,3)13)8-5-4-6-9(15)11(8)14-7/h4-6,14-15H,13H2,1-3H3
InChIKeyMDFQXXAPUNZDAM-UHFFFAOYSA-N
XLogP2.38
TPSA62.04 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol (CID 96618503) is 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol is Cc1[nH]c2c(O)cccc2c1C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol?
The InChIKey is MDFQXXAPUNZDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-7-10(12(2,3)13)8-5-4-6-9(15)11(8)14-7/h4-6,14-15H,13H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol?
3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol has a molecular weight of 204.27 g/mol, XLogP of 2.38, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-2-methyl-1H-indol-7-ol is sourced from PubChem (CID 96618503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).