[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine

C10H14N2O3 — CID 145181337

IUPAC[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine
SMILESC=Nc1cc(OC)c(OC)cc1OCN
InChIInChI=1S/C10H14N2O3/c1-12-7-4-9(13-2)10(14-3)5-8(7)15-6-11/h4-5H,1,6,11H2,2-3H3
InChIKeyBHPQBJGIMIYTOE-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.33
Rot. Bonds5

About [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine

[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine (PubChem CID 145181337) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine
PubChem CID145181337
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine
SMILESC=Nc1cc(OC)c(OC)cc1OCN
InChIInChI=1S/C10H14N2O3/c1-12-7-4-9(13-2)10(14-3)5-8(7)15-6-11/h4-5H,1,6,11H2,2-3H3
InChIKeyBHPQBJGIMIYTOE-UHFFFAOYSA-N
XLogP1.33
TPSA66.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[4,5-dimethoxy-2-(methylideneamino)phenyl]ethenol
CID 145169624
N-[2-(1-chloroethenyl)-5-(3-chloropropoxy)-4-methoxyphenyl]methanimine
CID 144685745
5-(aminomethoxy)-6-methoxy-2-methylisoindole-1,3-dione
CID 166990802
4,5-dimethoxy-N,N'-dimethyl-2-(methylideneamino)benzenecarboximidamide
CID 71206505
2-(2-methoxy-4,5-dimethylphenoxy)ethanamine
CID 82491313
2-[4-ethenyl-2-methoxy-5-(methylideneamino)phenyl]acetaldehyde
CID 143133373
5-[(E)-1-chloroprop-1-enyl]-2-methoxy-4-(methylideneamino)benzamide
CID 138748069
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
(1S)-1-(2,4,5-trimethoxyphenyl)ethane-1,2-diamine
CID 66517496
(2,6-dimethoxy-4-methylphenyl)methanamine
CID 58024962
3-amino-1-(3,4-dimethoxyphenyl)propan-1-one
CID 93183338
[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179670

Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine?
The IUPAC name of [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine (CID 145181337) is [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine.
What is the SMILES notation for [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine?
The canonical SMILES for [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine is C=Nc1cc(OC)c(OC)cc1OCN.
What is the InChIKey of [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine?
The InChIKey is BHPQBJGIMIYTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12-7-4-9(13-2)10(14-3)5-8(7)15-6-11/h4-5H,1,6,11H2,2-3H3.
What are the key properties of [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine?
[4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine has a molecular weight of 210.23 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(methylideneamino)phenoxy]methanamine is sourced from PubChem (CID 145181337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).