2-(pyren-1-ylmethylideneamino)ethanol

C19H15NO — CID 132838961

IUPAC2-(pyren-1-ylmethylideneamino)ethanol
SMILESOCC/N=C/c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H15NO/c21-11-10-20-12-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)19(15)18(13)14/h1-9,12,21H,10-11H2/b20-12+
InChIKeyIUNDCMBRMXJQOW-UDWIEESQSA-N
MW273.34 g/mol
LogP4.00
Rot. Bonds3

About 2-(pyren-1-ylmethylideneamino)ethanol

2-(pyren-1-ylmethylideneamino)ethanol (PubChem CID 132838961) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(pyren-1-ylmethylideneamino)ethanol.

Molecular Properties

Compound Name2-(pyren-1-ylmethylideneamino)ethanol
PubChem CID132838961
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name2-(pyren-1-ylmethylideneamino)ethanol
SMILESOCC/N=C/c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C19H15NO/c21-11-10-20-12-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)19(15)18(13)14/h1-9,12,21H,10-11H2/b20-12+
InChIKeyIUNDCMBRMXJQOW-UDWIEESQSA-N
XLogP4.00
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.00
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_3', 'substructure': 'N/A'}

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Related Compounds

N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine
CID 361325
1-Pyrenyldiazomethane
CID 2762674
2-Naphthalenecarboxaldehyde, (2-naphthalenylmethylene)hydrazone
CID 9602920
Pyren-1-ylmethylene-hydrazine
CID 5377088
(E)-9-phenanthrenecarbaldehyde oxime
CID 14613796
1-Pyrenecarboxaldehyde hydrazone
CID 618521
N-(9-Anthracenylmethylene)methanamine
CID 12484162
2-Naphthaldehyde-O-ethyloxime
CID 53308543
Anthraldehyde oxime
CID 85664705
1-anthracen-9-yl-N-ethylmethanimine
CID 101069422
(E)-N-(2,2-Dimethoxyethyl)-1-(phenanthren-2-yl)methanimine
CID 13572469
(E)-1-(Anthracen-9-yl)-N-butylmethanimine
CID 71330803

Frequently Asked Questions

What is the IUPAC name of 2-(pyren-1-ylmethylideneamino)ethanol?
The IUPAC name of 2-(pyren-1-ylmethylideneamino)ethanol (CID 132838961) is 2-(pyren-1-ylmethylideneamino)ethanol.
What is the SMILES notation for 2-(pyren-1-ylmethylideneamino)ethanol?
The canonical SMILES for 2-(pyren-1-ylmethylideneamino)ethanol is OCC/N=C/c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 2-(pyren-1-ylmethylideneamino)ethanol?
The InChIKey is IUNDCMBRMXJQOW-UDWIEESQSA-N. The full InChI is InChI=1S/C19H15NO/c21-11-10-20-12-16-7-6-15-5-4-13-2-1-3-14-8-9-17(16)19(15)18(13)14/h1-9,12,21H,10-11H2/b20-12+.
What are the key properties of 2-(pyren-1-ylmethylideneamino)ethanol?
2-(pyren-1-ylmethylideneamino)ethanol has a molecular weight of 273.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyren-1-ylmethylideneamino)ethanol is sourced from PubChem (CID 132838961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).