[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine

C13H20N2O2 — CID 168529237

IUPAC[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
SMILESCOc1cccc(C=NN)c1OCCC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)7-8-17-13-11(9-15-14)5-4-6-12(13)16-3/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyMPWCYPAYZOUYCC-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.41
Rot. Bonds6

About [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine

[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine (PubChem CID 168529237) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine.

Molecular Properties

Compound Name[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
PubChem CID168529237
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine
SMILESCOc1cccc(C=NN)c1OCCC(C)C
InChIInChI=1S/C13H20N2O2/c1-10(2)7-8-17-13-11(9-15-14)5-4-6-12(13)16-3/h4-6,9-10H,7-8,14H2,1-3H3
InChIKeyMPWCYPAYZOUYCC-UHFFFAOYSA-N
XLogP2.41
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methanehydrazonoyl-6-methoxyphenoxy)butanenitrile
CID 168530651
[3-methoxy-2-(3-methylbutoxy)phenyl]methanamine
CID 43471421
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 168529917
N-[(Z)-[2-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-4-(3-methylbutoxy)benzamide
CID 9215847
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]propan-2-amine
CID 43472032
(1R)-1-[2-methoxy-6-(3-methylbutoxy)phenyl]ethanamine
CID 113389069
2-[(2-butoxy-3-methoxyphenyl)methylideneamino]guanidine
CID 168592546
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847891
N-[[3-methoxy-2-(2-phenoxyethoxy)phenyl]methylidene]hydroxylamine
CID 22682151
3-methoxy-2-(3-morpholin-4-ylbutoxy)benzaldehyde
CID 82037792
(NE)-N-[(2-ethoxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 23722991

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine?
The IUPAC name of [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine (CID 168529237) is [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine.
What is the SMILES notation for [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine?
The canonical SMILES for [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine is COc1cccc(C=NN)c1OCCC(C)C.
What is the InChIKey of [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine?
The InChIKey is MPWCYPAYZOUYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(2)7-8-17-13-11(9-15-14)5-4-6-12(13)16-3/h4-6,9-10H,7-8,14H2,1-3H3.
What are the key properties of [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine?
[3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine has a molecular weight of 236.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(3-methylbutoxy)phenyl]methylidenehydrazine is sourced from PubChem (CID 168529237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).