2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol

C13H19NO2 — CID 62773374

IUPAC2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol
SMILESCOCCNCC1(O)Cc2ccccc2C1
InChIInChI=1S/C13H19NO2/c1-16-7-6-14-10-13(15)8-11-4-2-3-5-12(11)9-13/h2-5,14-15H,6-10H2,1H3
InChIKeyQLPLZSYHCQKOMB-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.75
Rot. Bonds5

About 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol

2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol (PubChem CID 62773374) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol
PubChem CID62773374
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol
SMILESCOCCNCC1(O)Cc2ccccc2C1
InChIInChI=1S/C13H19NO2/c1-16-7-6-14-10-13(15)8-11-4-2-3-5-12(11)9-13/h2-5,14-15H,6-10H2,1H3
InChIKeyQLPLZSYHCQKOMB-UHFFFAOYSA-N
XLogP0.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol (CID 62773374) is 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol is COCCNCC1(O)Cc2ccccc2C1.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol?
The InChIKey is QLPLZSYHCQKOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-16-7-6-14-10-13(15)8-11-4-2-3-5-12(11)9-13/h2-5,14-15H,6-10H2,1H3.
What are the key properties of 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol?
2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol has a molecular weight of 221.30 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]-1,3-dihydroinden-2-ol is sourced from PubChem (CID 62773374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).