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

C14H20N2O — CID 117197186

IUPAC2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
SMILESCNC(C)c1cc2cccc(O)c2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-12(10(3)15-4)8-11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3
InChIKeyWXDNXNMNJGXSEV-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol (PubChem CID 117197186) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
PubChem CID117197186
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
SMILESCNC(C)c1cc2cccc(O)c2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-12(10(3)15-4)8-11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3
InChIKeyWXDNXNMNJGXSEV-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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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The IUPAC name of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol (CID 117197186) is 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol is CNC(C)c1cc2cccc(O)c2n1C(C)C.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
The InChIKey is WXDNXNMNJGXSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-12(10(3)15-4)8-11-6-5-7-13(17)14(11)16/h5-10,15,17H,1-4H3.
What are the key properties of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol?
2-[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 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol is sourced from PubChem (CID 117197186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).