5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol

C15H23NO2 — CID 176998542

IUPAC5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/CC(C)C)c(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-10(2)8-16-9-14-13(11(3)4)6-12(18-5)7-15(14)17/h6-7,9-11,17H,8H2,1-5H3/b16-9+
InChIKeyUABNMDAJZGSFRY-CXUHLZMHSA-N
MW249.35 g/mol
LogP3.60
Rot. Bonds5

About 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol

5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol (PubChem CID 176998542) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
PubChem CID176998542
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol
SMILESCOc1cc(O)c(/C=N/CC(C)C)c(C(C)C)c1
InChIInChI=1S/C15H23NO2/c1-10(2)8-16-9-14-13(11(3)4)6-12(18-5)7-15(14)17/h6-7,9-11,17H,8H2,1-5H3/b16-9+
InChIKeyUABNMDAJZGSFRY-CXUHLZMHSA-N
XLogP3.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176998472
2-(benzyliminomethyl)-5-methoxy-3-propan-2-ylphenol
CID 176997872
3-ethyl-5-methoxy-2-(propan-2-yliminomethyl)phenol
CID 176997876
4-methoxy-2,6-di(propan-2-yl)phenol
CID 19994197
2-(1-hydroxypropan-2-yliminomethyl)-3,5-dimethoxyphenol
CID 136859318
2-(2-hydroxyethyliminomethyl)-5-methoxy-3-methylphenol
CID 176997824
2-[(1-hydroxy-3-methylpentan-2-yl)iminomethyl]-3,5-dimethoxyphenol
CID 136808100
ethane;2-hydroxy-6-propan-2-yl-4-propan-2-yloxybenzaldehyde
CID 176998359
2-[3-[2-[3-[(2-hydroxy-4,6-dimethoxyphenyl)methylideneamino]propylamino]ethylamino]propyliminomethyl]-3,5-dimethoxyphenol;iron
CID 135456094
3-butan-2-yl-5-methoxy-2-methylphenol
CID 130033811
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
3-methyl-8-(2-methylpropyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(2-methylpropyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol
CID 135531361

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol?
The IUPAC name of 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol (CID 176998542) is 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol.
What is the SMILES notation for 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol?
The canonical SMILES for 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol is COc1cc(O)c(/C=N/CC(C)C)c(C(C)C)c1.
What is the InChIKey of 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol?
The InChIKey is UABNMDAJZGSFRY-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)8-16-9-14-13(11(3)4)6-12(18-5)7-15(14)17/h6-7,9-11,17H,8H2,1-5H3/b16-9+.
What are the key properties of 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol?
5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol has a molecular weight of 249.35 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpropyliminomethyl)-3-propan-2-ylphenol is sourced from PubChem (CID 176998542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).