2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol

C13H19NO2 — CID 117201471

IUPAC2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
SMILESCCN1c2ccc(OC)cc2CC1CCO
InChIInChI=1S/C13H19NO2/c1-3-14-11(6-7-15)8-10-9-12(16-2)4-5-13(10)14/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyCSVUGTCHHNPKJZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds4

About 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol

2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol (PubChem CID 117201471) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
PubChem CID117201471
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol
SMILESCCN1c2ccc(OC)cc2CC1CCO
InChIInChI=1S/C13H19NO2/c1-3-14-11(6-7-15)8-10-9-12(16-2)4-5-13(10)14/h4-5,9,11,15H,3,6-8H2,1-2H3
InChIKeyCSVUGTCHHNPKJZ-UHFFFAOYSA-N
XLogP1.83
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)propan-2-amine
CID 117201525
2-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylethanamine
CID 117201446
3-(5-methoxy-1-methyl-2,3-dihydroindol-2-yl)-N-methylpropan-1-amine
CID 117201453
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)propan-1-amine
CID 117201536
O-[(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)methyl]hydroxylamine
CID 117201497
4-(2-hydroxyethyl)-1-[(4-methoxyphenyl)methyl]azetidin-2-one
CID 23254565
3-(5-methoxy-1-propan-2-yl-2,3-dihydroindol-2-yl)-2,2-dimethylpropanoic acid
CID 117201564
3-[1-ethyl-5-(trifluoromethyl)-2,3-dihydroindol-2-yl]propanoic acid
CID 117200717
5-methoxy-2-methyl-2,3-dihydroindol-1-amine
CID 154110611
N-ethyl-5-methoxy-N-methyl-2,3-dihydro-1H-inden-2-amine
CID 23397076
1,2-diethyl-2,3-dihydroindole-5-carboxamide
CID 151975903
(2S)-1-ethyl-2-(methoxymethyl)-2,3-dihydroindole
CID 58740920

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol?
The IUPAC name of 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol (CID 117201471) is 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol.
What is the SMILES notation for 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol?
The canonical SMILES for 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol is CCN1c2ccc(OC)cc2CC1CCO.
What is the InChIKey of 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol?
The InChIKey is CSVUGTCHHNPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14-11(6-7-15)8-10-9-12(16-2)4-5-13(10)14/h4-5,9,11,15H,3,6-8H2,1-2H3.
What are the key properties of 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol?
2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol has a molecular weight of 221.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-methoxy-2,3-dihydroindol-2-yl)ethanol is sourced from PubChem (CID 117201471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).