2-(2H-chromen-3-ylmethylamino)ethanol

C12H15NO2 — CID 115630406

IUPAC2-(2H-chromen-3-ylmethylamino)ethanol
SMILESOCCNCC1=Cc2ccccc2OC1
InChIInChI=1S/C12H15NO2/c14-6-5-13-8-10-7-11-3-1-2-4-12(11)15-9-10/h1-4,7,13-14H,5-6,8-9H2
InChIKeyIFJBGIVMZOCIGP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.04
Rot. Bonds4

About 2-(2H-chromen-3-ylmethylamino)ethanol

2-(2H-chromen-3-ylmethylamino)ethanol (PubChem CID 115630406) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(2H-chromen-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(2H-chromen-3-ylmethylamino)ethanol
PubChem CID115630406
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(2H-chromen-3-ylmethylamino)ethanol
SMILESOCCNCC1=Cc2ccccc2OC1
InChIInChI=1S/C12H15NO2/c14-6-5-13-8-10-7-11-3-1-2-4-12(11)15-9-10/h1-4,7,13-14H,5-6,8-9H2
InChIKeyIFJBGIVMZOCIGP-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.04
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-(2H-chromen-3-ylmethylamino)ethanol?
The IUPAC name of 2-(2H-chromen-3-ylmethylamino)ethanol (CID 115630406) is 2-(2H-chromen-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(2H-chromen-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(2H-chromen-3-ylmethylamino)ethanol is OCCNCC1=Cc2ccccc2OC1.
What is the InChIKey of 2-(2H-chromen-3-ylmethylamino)ethanol?
The InChIKey is IFJBGIVMZOCIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-6-5-13-8-10-7-11-3-1-2-4-12(11)15-9-10/h1-4,7,13-14H,5-6,8-9H2.
What are the key properties of 2-(2H-chromen-3-ylmethylamino)ethanol?
2-(2H-chromen-3-ylmethylamino)ethanol has a molecular weight of 205.26 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-chromen-3-ylmethylamino)ethanol is sourced from PubChem (CID 115630406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).