3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol

C14H20N2O — CID 117195037

IUPAC3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
SMILESCNC(C)c1cn(C(C)C)c2cccc(O)c12
InChIInChI=1S/C14H20N2O/c1-9(2)16-8-11(10(3)15-4)14-12(16)6-5-7-13(14)17/h5-10,15,17H,1-4H3
InChIKeyFFXYQWSOPXWULJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds3

About 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol

3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol (PubChem CID 117195037) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
PubChem CID117195037
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
SMILESCNC(C)c1cn(C(C)C)c2cccc(O)c12
InChIInChI=1S/C14H20N2O/c1-9(2)16-8-11(10(3)15-4)14-12(16)6-5-7-13(14)17/h5-10,15,17H,1-4H3
InChIKeyFFXYQWSOPXWULJ-UHFFFAOYSA-N
XLogP3.21
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117195040
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
3-(2-aminopropyl)-1-propan-2-ylindol-4-ol
CID 83918695
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-5-ol
CID 117195703
1-(6-bromo-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196328
1-(6-chloro-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117196326
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117194628
3-(1-fluoroethyl)-1-methylindol-4-ol
CID 84664633
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117195462
N-methyl-1-(1-methylindol-4-yl)ethanamine
CID 115106916
1-(4-chloro-1-propan-2-ylindol-3-yl)ethanone
CID 117119721
N-methyl-1-[1-propan-2-yl-4-(trifluoromethyl)indol-3-yl]methanamine
CID 117194709

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The IUPAC name of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol (CID 117195037) is 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The canonical SMILES for 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol is CNC(C)c1cn(C(C)C)c2cccc(O)c12.
What is the InChIKey of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The InChIKey is FFXYQWSOPXWULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-8-11(10(3)15-4)14-12(16)6-5-7-13(14)17/h5-10,15,17H,1-4H3.
What are the key properties of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol has a molecular weight of 232.33 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol is sourced from PubChem (CID 117195037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).