2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol

C13H20N2O — CID 117199159

IUPAC2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol
SMILESCNCC1Cc2c(O)cccc2N1C(C)C
InChIInChI=1S/C13H20N2O/c1-9(2)15-10(8-14-3)7-11-12(15)5-4-6-13(11)16/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyKOAHPRLSRAITLS-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.75
Rot. Bonds3

About 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol

2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol (PubChem CID 117199159) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol
PubChem CID117199159
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol
SMILESCNCC1Cc2c(O)cccc2N1C(C)C
InChIInChI=1S/C13H20N2O/c1-9(2)15-10(8-14-3)7-11-12(15)5-4-6-13(11)16/h4-6,9-10,14,16H,7-8H2,1-3H3
InChIKeyKOAHPRLSRAITLS-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropanoic acid
CID 117199203
1-(4-methyl-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198329
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)-2-methylpropan-2-ol
CID 117198770
2-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198825
1-ethyl-2-(2-hydroxyethyl)-2,3-dihydroindol-4-ol
CID 117199118
1-(1-ethyl-4-hydroxy-2,3-dihydroindol-2-yl)propan-2-one
CID 117199127
1-(4-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117199169
2-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]benzene-1,3-diol
CID 107711411
1-(4-bromo-1-propan-2-yl-2,3-dihydroindol-2-yl)ethanamine
CID 117198803
1-benzyl-2-methyl-2,3-dihydroindol-4-ol
CID 70918044
1-(4-bromo-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198613
1-(4-fluoro-1-methyl-2,3-dihydroindol-2-yl)propan-2-ol
CID 117198605

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol?
The IUPAC name of 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol (CID 117199159) is 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol?
The canonical SMILES for 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol is CNCC1Cc2c(O)cccc2N1C(C)C.
What is the InChIKey of 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol?
The InChIKey is KOAHPRLSRAITLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-9(2)15-10(8-14-3)7-11-12(15)5-4-6-13(11)16/h4-6,9-10,14,16H,7-8H2,1-3H3.
What are the key properties of 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol?
2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol has a molecular weight of 220.32 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)-1-propan-2-yl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 117199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).