2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol

C19H19NO2 — CID 138753462

IUPAC2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-19(12-21,13-22)20-11-18-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)18/h2-11,21-22H,12-13H2,1H3/b20-11+
InChIKeyYHWMURSVOAEBHR-RGVLZGJSSA-N
MW293.37 g/mol
LogP3.16
Rot. Bonds4

About 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol

2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol (PubChem CID 138753462) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol
PubChem CID138753462
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol
SMILESCC(CO)(CO)/N=C/c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H19NO2/c1-19(12-21,13-22)20-11-18-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)18/h2-11,21-22H,12-13H2,1H3/b20-11+
InChIKeyYHWMURSVOAEBHR-RGVLZGJSSA-N
XLogP3.16
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

N-(9-Anthracenylmethylene)methanamine
CID 12484162
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
(r)-2-((Anthracen-10-yl)methyleneamino)butan-1-ol
CID 129729405
2-((Pyrene-1-ylmethylene)amino)ethanol
CID 132838961
2-(Anthracen-9-ylmethylideneamino)ethanol
CID 2189537
(E)-1-anthracen-9-yl-N-(diethoxyphosphorylmethyl)methanimine
CID 177448875
1-anthracen-9-yl-N-tert-butylmethanimine
CID 12025516
N-tert-butyl-1-[2-(2-methyl-1H-inden-1-yl)naphthalen-1-yl]methanimine
CID 23015018
N-tert-butyl-1-[2-(1H-inden-1-yl)naphthalen-1-yl]methanimine
CID 23015297
3-[(E)-[(1S,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methylideneamino]oxypropan-1-ol
CID 56970433

Frequently Asked Questions

What is the IUPAC name of 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol?
The IUPAC name of 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol (CID 138753462) is 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol?
The canonical SMILES for 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol is CC(CO)(CO)/N=C/c1c2ccccc2cc2ccccc12.
What is the InChIKey of 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol?
The InChIKey is YHWMURSVOAEBHR-RGVLZGJSSA-N. The full InChI is InChI=1S/C19H19NO2/c1-19(12-21,13-22)20-11-18-16-8-4-2-6-14(16)10-15-7-3-5-9-17(15)18/h2-11,21-22H,12-13H2,1H3/b20-11+.
What are the key properties of 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol?
2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol has a molecular weight of 293.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(anthracen-9-ylmethylideneamino)-2-methylpropane-1,3-diol is sourced from PubChem (CID 138753462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).