1-ethyl-2-(ethylaminomethyl)indol-4-ol

C13H18N2O — CID 117173987

IUPAC1-ethyl-2-(ethylaminomethyl)indol-4-ol
SMILESCCNCc1cc2c(O)cccc2n1CC
InChIInChI=1S/C13H18N2O/c1-3-14-9-10-8-11-12(15(10)4-2)6-5-7-13(11)16/h5-8,14,16H,3-4,9H2,1-2H3
InChIKeyHWZPUXAZPHTQIF-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds4

About 1-ethyl-2-(ethylaminomethyl)indol-4-ol

1-ethyl-2-(ethylaminomethyl)indol-4-ol (PubChem CID 117173987) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethyl-2-(ethylaminomethyl)indol-4-ol.

Molecular Properties

Compound Name1-ethyl-2-(ethylaminomethyl)indol-4-ol
PubChem CID117173987
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-ethyl-2-(ethylaminomethyl)indol-4-ol
SMILESCCNCc1cc2c(O)cccc2n1CC
InChIInChI=1S/C13H18N2O/c1-3-14-9-10-8-11-12(15(10)4-2)6-5-7-13(11)16/h5-8,14,16H,3-4,9H2,1-2H3
InChIKeyHWZPUXAZPHTQIF-UHFFFAOYSA-N
XLogP2.48
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethoxymethyl)-1-ethylindol-4-ol
CID 117173988
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
1-ethyl-2-(2-hydroxypropan-2-yl)indol-4-ol
CID 117120545
1-ethyl-2-[(propan-2-ylamino)methyl]indol-4-amine
CID 117173982
1-ethyl-5-hydroxyquinolin-2-one
CID 70394482
N-[[4-(aminomethyl)-1-methylindol-2-yl]methyl]ethanamine
CID 117173063
buta-1,3-diene;1-ethyl-2-methylindol-4-ol;2-methylbut-2-ene
CID 143459715
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
1-ethyl-2-(ethylaminomethyl)indole-7-carboxylic acid
CID 117184391
N-[[1-(2-propan-2-ylsulfonylethyl)indol-2-yl]methyl]ethanamine
CID 106731933
2-(ethoxymethyl)-1-ethyl-4-fluoroindole
CID 117173996

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(ethylaminomethyl)indol-4-ol?
The IUPAC name of 1-ethyl-2-(ethylaminomethyl)indol-4-ol (CID 117173987) is 1-ethyl-2-(ethylaminomethyl)indol-4-ol.
What is the SMILES notation for 1-ethyl-2-(ethylaminomethyl)indol-4-ol?
The canonical SMILES for 1-ethyl-2-(ethylaminomethyl)indol-4-ol is CCNCc1cc2c(O)cccc2n1CC.
What is the InChIKey of 1-ethyl-2-(ethylaminomethyl)indol-4-ol?
The InChIKey is HWZPUXAZPHTQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-14-9-10-8-11-12(15(10)4-2)6-5-7-13(11)16/h5-8,14,16H,3-4,9H2,1-2H3.
What are the key properties of 1-ethyl-2-(ethylaminomethyl)indol-4-ol?
1-ethyl-2-(ethylaminomethyl)indol-4-ol has a molecular weight of 218.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(ethylaminomethyl)indol-4-ol is sourced from PubChem (CID 117173987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).