2-[methyl(pyren-1-ylmethyl)amino]ethanol

C20H19NO — CID 14762989

IUPAC2-[methyl(pyren-1-ylmethyl)amino]ethanol
SMILESCN(CCO)Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H19NO/c1-21(11-12-22)13-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)20(16)19(14)15/h2-10,22H,11-13H2,1H3
InChIKeyTVPYDZQHJVBVTQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.01
Rot. Bonds4

About 2-[methyl(pyren-1-ylmethyl)amino]ethanol

2-[methyl(pyren-1-ylmethyl)amino]ethanol (PubChem CID 14762989) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[methyl(pyren-1-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[methyl(pyren-1-ylmethyl)amino]ethanol
PubChem CID14762989
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name2-[methyl(pyren-1-ylmethyl)amino]ethanol
SMILESCN(CCO)Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C20H19NO/c1-21(11-12-22)13-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)20(16)19(14)15/h2-10,22H,11-13H2,1H3
InChIKeyTVPYDZQHJVBVTQ-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyren-1-ylmethyl)amino]ethanol?
The IUPAC name of 2-[methyl(pyren-1-ylmethyl)amino]ethanol (CID 14762989) is 2-[methyl(pyren-1-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[methyl(pyren-1-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[methyl(pyren-1-ylmethyl)amino]ethanol is CN(CCO)Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 2-[methyl(pyren-1-ylmethyl)amino]ethanol?
The InChIKey is TVPYDZQHJVBVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-21(11-12-22)13-17-8-7-16-6-5-14-3-2-4-15-9-10-18(17)20(16)19(14)15/h2-10,22H,11-13H2,1H3.
What are the key properties of 2-[methyl(pyren-1-ylmethyl)amino]ethanol?
2-[methyl(pyren-1-ylmethyl)amino]ethanol has a molecular weight of 289.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyren-1-ylmethyl)amino]ethanol is sourced from PubChem (CID 14762989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).