2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol

C15H24N2O2 — CID 66001292

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C15H24N2O2/c1-15(18,7-8-16-9-10-19-2)14-11-12-5-3-4-6-13(12)17-14/h3-6,14,16-18H,7-11H2,1-2H3
InChIKeyZEZQKBDOCVIRIO-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.40
Rot. Bonds7

About 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol

2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol (PubChem CID 66001292) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
PubChem CID66001292
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol
SMILESCOCCNCCC(C)(O)C1Cc2ccccc2N1
InChIInChI=1S/C15H24N2O2/c1-15(18,7-8-16-9-10-19-2)14-11-12-5-3-4-6-13(12)17-14/h3-6,14,16-18H,7-11H2,1-2H3
InChIKeyZEZQKBDOCVIRIO-UHFFFAOYSA-N
XLogP1.40
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol (CID 66001292) is 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol is COCCNCCC(C)(O)C1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
The InChIKey is ZEZQKBDOCVIRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-15(18,7-8-16-9-10-19-2)14-11-12-5-3-4-6-13(12)17-14/h3-6,14,16-18H,7-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol?
2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-4-(2-methoxyethylamino)butan-2-ol is sourced from PubChem (CID 66001292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).