2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine

C12H18N2O — CID 82276688

IUPAC2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCCOc1ccc2c(c1)C(CCN)CN2
InChIInChI=1S/C12H18N2O/c1-2-15-10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7,9,14H,2,5-6,8,13H2,1H3
InChIKeyOEGSSFPORKBTKV-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.94
Rot. Bonds4

About 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine

2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine (PubChem CID 82276688) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
PubChem CID82276688
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine
SMILESCCOc1ccc2c(c1)C(CCN)CN2
InChIInChI=1S/C12H18N2O/c1-2-15-10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7,9,14H,2,5-6,8,13H2,1H3
InChIKeyOEGSSFPORKBTKV-UHFFFAOYSA-N
XLogP1.94
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
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-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)propan-2-amine
CID 82277205
1-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)-N-methylmethanamine
CID 83860271
(3R)-5-methoxy-3-propyl-2,3-dihydro-1H-indole
CID 124549466
ethyl 3-[(3R)-5-methoxy-2,3-dihydro-1H-indol-3-yl]propanoate
CID 23652761
2-[[3-(2-aminoethyl)-2,3-dihydro-1H-indol-5-yl]oxy]-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 54019929
ethyl 3-(5-chloro-2,3-dihydro-1H-indol-3-yl)propanoate
CID 70824239
3-tert-butyl-6-ethoxy-1,2,3,4-tetrahydroquinoline
CID 55184388
5-fluoro-3-propyl-2,3-dihydro-1H-indole
CID 70323615
3-(2,2-dimethylpropyl)-5-methoxy-2,3-dihydro-1H-indole
CID 106985791
5-methoxy-3-(2-methylpropyl)-2,3-dihydro-1H-indole
CID 106986376
(3R)-5-chloro-3-ethyl-2,3-dihydro-1H-indole
CID 95430825
3-butyl-5-methyl-2,3-dihydro-1H-indole
CID 106820126

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine?
The IUPAC name of 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine (CID 82276688) is 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine?
The canonical SMILES for 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine is CCOc1ccc2c(c1)C(CCN)CN2.
What is the InChIKey of 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine?
The InChIKey is OEGSSFPORKBTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-10-3-4-12-11(7-10)9(5-6-13)8-14-12/h3-4,7,9,14H,2,5-6,8,13H2,1H3.
What are the key properties of 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine?
2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine has a molecular weight of 206.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-2,3-dihydro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 82276688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).