2-(anthracen-9-ylmethylideneamino)ethanol

C17H15NO — CID 2189537

IUPAC2-(anthracen-9-ylmethylideneamino)ethanol
SMILESOCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO/c19-10-9-18-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,19H,9-10H2/b18-12+
InChIKeyGBFAJRLXDANYMO-LDADJPATSA-N
MW249.31 g/mol
LogP3.40
Rot. Bonds3

About 2-(anthracen-9-ylmethylideneamino)ethanol

2-(anthracen-9-ylmethylideneamino)ethanol (PubChem CID 2189537) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethylideneamino)ethanol.

Molecular Properties

Compound Name2-(anthracen-9-ylmethylideneamino)ethanol
PubChem CID2189537
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(anthracen-9-ylmethylideneamino)ethanol
SMILESOCC/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C17H15NO/c19-10-9-18-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,19H,9-10H2/b18-12+
InChIKeyGBFAJRLXDANYMO-LDADJPATSA-N
XLogP3.40
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-9-ylmethylideneamino)ethanol?
The IUPAC name of 2-(anthracen-9-ylmethylideneamino)ethanol (CID 2189537) is 2-(anthracen-9-ylmethylideneamino)ethanol.
What is the SMILES notation for 2-(anthracen-9-ylmethylideneamino)ethanol?
The canonical SMILES for 2-(anthracen-9-ylmethylideneamino)ethanol is OCC/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracen-9-ylmethylideneamino)ethanol?
The InChIKey is GBFAJRLXDANYMO-LDADJPATSA-N. The full InChI is InChI=1S/C17H15NO/c19-10-9-18-12-17-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)17/h1-8,11-12,19H,9-10H2/b18-12+.
What are the key properties of 2-(anthracen-9-ylmethylideneamino)ethanol?
2-(anthracen-9-ylmethylideneamino)ethanol has a molecular weight of 249.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethylideneamino)ethanol is sourced from PubChem (CID 2189537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).