3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol

C11H16N2O3 — CID 168597437

IUPAC3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol
SMILESCON=Cc1ccccc1NCC(O)CO
InChIInChI=1S/C11H16N2O3/c1-16-13-6-9-4-2-3-5-11(9)12-7-10(15)8-14/h2-6,10,12,14-15H,7-8H2,1H3
InChIKeyJAHAMXSFRQBGNN-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.43
Rot. Bonds6

About 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol

3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol (PubChem CID 168597437) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol
PubChem CID168597437
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol
SMILESCON=Cc1ccccc1NCC(O)CO
InChIInChI=1S/C11H16N2O3/c1-16-13-6-9-4-2-3-5-11(9)12-7-10(15)8-14/h2-6,10,12,14-15H,7-8H2,1H3
InChIKeyJAHAMXSFRQBGNN-UHFFFAOYSA-N
XLogP0.43
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-3-[2-(methoxyiminomethyl)anilino]propan-2-ol
CID 168637448
3-[2-(3-hydroxypentan-3-yl)anilino]propane-1,2-diol
CID 168596692
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
methyl 3-(2,3-dihydroxypropylamino)-2-hydroxybenzoate
CID 168597109
3-(3-bromo-2-methylanilino)propane-1,2-diol
CID 107633538
3-[2-(N-anilino-C-methylcarbonimidoyl)anilino]propane-1,2-diol
CID 168594170
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
2-[2-[(Z)-methoxyiminomethyl]phenyl]acetic acid
CID 86749984
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
[3-(2,3-dihydroxypropylamino)-2-methylphenyl]boronic acid
CID 168597479

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol?
The IUPAC name of 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol (CID 168597437) is 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol?
The canonical SMILES for 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol is CON=Cc1ccccc1NCC(O)CO.
What is the InChIKey of 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol?
The InChIKey is JAHAMXSFRQBGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-16-13-6-9-4-2-3-5-11(9)12-7-10(15)8-14/h2-6,10,12,14-15H,7-8H2,1H3.
What are the key properties of 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol?
3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol has a molecular weight of 224.26 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxyiminomethyl)anilino]propane-1,2-diol is sourced from PubChem (CID 168597437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).