3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol

C14H20N2O — CID 117197935

IUPAC3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
SMILESCNC(C)c1cn(C(C)C)c2c(O)cccc12
InChIInChI=1S/C14H20N2O/c1-9(2)16-8-12(10(3)15-4)11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3
InChIKeyMOFYMDWCSYMHMQ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds3

About 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol

3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol (PubChem CID 117197935) 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-7-ol.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
PubChem CID117197935
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
SMILESCNC(C)c1cn(C(C)C)c2c(O)cccc12
InChIInChI=1S/C14H20N2O/c1-9(2)16-8-12(10(3)15-4)11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3
InChIKeyMOFYMDWCSYMHMQ-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

3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117195037
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-5-ol
CID 117195703
1-(7-bromo-1-methylindol-3-yl)-N-methylethanamine
CID 117197621
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
1-(7-methoxy-1-methylindol-3-yl)-N-methylethanamine
CID 83860032
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
1,3-di(propan-2-yl)indole-7-carboxylic acid
CID 83945414
2-(7-methyl-1-propan-2-ylindol-3-yl)propanoic acid
CID 117197460
1-(4-methoxy-1-propan-2-ylindol-3-yl)-N-methylethanamine
CID 117195040
2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197186

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The IUPAC name of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol (CID 117197935) is 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The canonical SMILES for 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol is CNC(C)c1cn(C(C)C)c2c(O)cccc12.
What is the InChIKey of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The InChIKey is MOFYMDWCSYMHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-8-12(10(3)15-4)11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3.
What are the key properties of 3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-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-7-ol is sourced from PubChem (CID 117197935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).