5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde

C16H22N2O3 — CID 143515820

IUPAC5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde
SMILESC/C=C1\CC(/C=N/c2cc(O)c(OC)cc2C)N1C.C=O
InChIInChI=1S/C15H20N2O2.CH2O/c1-5-11-7-12(17(11)3)9-16-13-8-14(18)15(19-4)6-10(13)2;1-2/h5-6,8-9,12,18H,7H2,1-4H3;1H2/b11-5+,16-9+;
InChIKeyCLXMZBWQWHEVQZ-FVPCRJBZSA-N
MW290.36 g/mol
LogP2.83
Rot. Bonds3

About 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde

5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde (PubChem CID 143515820) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde.

Molecular Properties

Compound Name5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde
PubChem CID143515820
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde
SMILESC/C=C1\CC(/C=N/c2cc(O)c(OC)cc2C)N1C.C=O
InChIInChI=1S/C15H20N2O2.CH2O/c1-5-11-7-12(17(11)3)9-16-13-8-14(18)15(19-4)6-10(13)2;1-2/h5-6,8-9,12,18H,7H2,1-4H3;1H2/b11-5+,16-9+;
InChIKeyCLXMZBWQWHEVQZ-FVPCRJBZSA-N
XLogP2.83
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 693352
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1-[(4,5-dimethoxy-2-methylphenyl)iminomethyl]naphthalen-2-ol
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N-[3-[[(12aS)-8-methoxy-11,12,12a,13-tetrahydro-6H-indolo[2,1-c][1,4]benzodiazepin-9-yl]oxymethyl]-5-[[2-methoxy-4-methyl-5-[(1-methyl-2,3-dihydroindol-2-yl)methylideneamino]phenoxy]methyl]phenyl]-4-methyl-4-sulfanylpentanamide
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1-ethyl-4-(4-methoxy-2,5-dimethylphenyl)-3-methylimidazolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde?
The IUPAC name of 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde (CID 143515820) is 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde.
What is the SMILES notation for 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde?
The canonical SMILES for 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde is C/C=C1\CC(/C=N/c2cc(O)c(OC)cc2C)N1C.C=O.
What is the InChIKey of 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde?
The InChIKey is CLXMZBWQWHEVQZ-FVPCRJBZSA-N. The full InChI is InChI=1S/C15H20N2O2.CH2O/c1-5-11-7-12(17(11)3)9-16-13-8-14(18)15(19-4)6-10(13)2;1-2/h5-6,8-9,12,18H,7H2,1-4H3;1H2/b11-5+,16-9+;.
What are the key properties of 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde?
5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde has a molecular weight of 290.36 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(4E)-4-ethylidene-1-methylazetidin-2-yl]methylideneamino]-2-methoxy-4-methylphenol;formaldehyde is sourced from PubChem (CID 143515820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).