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

C14H20N2O — CID 117194628

IUPAC2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
SMILESCNC(C)c1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-12-6-5-7-14(17)11(12)8-13(16)10(3)15-4/h5-10,15,17H,1-4H3
InChIKeyUKITXCRHDYTAGT-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.21
Rot. Bonds3

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

2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol (PubChem CID 117194628) 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-4-ol.

Molecular Properties

Compound Name2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
PubChem CID117194628
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
SMILESCNC(C)c1cc2c(O)cccc2n1C(C)C
InChIInChI=1S/C14H20N2O/c1-9(2)16-12-6-5-7-14(17)11(12)8-13(16)10(3)15-4/h5-10,15,17H,1-4H3
InChIKeyUKITXCRHDYTAGT-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

2-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197186
3-(4-hydroxy-1-propan-2-ylindol-2-yl)butanoic acid
CID 117120620
2-[3-(methylamino)propyl]-1-propan-2-ylindol-4-ol
CID 117194641
2-(2-aminopropan-2-yl)-1-propan-2-ylindol-4-ol
CID 117120582
1-propan-2-yl-2-(propan-2-yloxymethyl)indol-4-ol
CID 117174039
1-(4-chloro-1-ethylindol-2-yl)-N-methylethanamine
CID 117194509
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol
CID 117195037
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
1-(2-methyl-1-propan-2-ylindol-4-yl)propan-2-ol
CID 117204226
(2S)-2-[(4-hydroxy-1-methylindole-2-carbonyl)amino]propanoic acid
CID 110835775
1-(4-fluoro-1-propan-2-ylindol-2-yl)-N-methylmethanamine
CID 117173709
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The IUPAC name of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol (CID 117194628) is 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol.
What is the SMILES notation for 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The canonical SMILES for 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol is CNC(C)c1cc2c(O)cccc2n1C(C)C.
What is the InChIKey of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
The InChIKey is UKITXCRHDYTAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)16-12-6-5-7-14(17)11(12)8-13(16)10(3)15-4/h5-10,15,17H,1-4H3.
What are the key properties of 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol?
2-[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 2-[1-(methylamino)ethyl]-1-propan-2-ylindol-4-ol is sourced from PubChem (CID 117194628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).