2-(2,2-dimethylpropylideneamino)-5-methoxyphenol

C12H17NO2 — CID 15470269

IUPAC2-(2,2-dimethylpropylideneamino)-5-methoxyphenol
SMILESCOc1ccc(/N=C/C(C)(C)C)c(O)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-13-10-6-5-9(15-4)7-11(10)14/h5-8,14H,1-4H3/b13-8+
InChIKeyXTNPXJKACRZSAZ-MDWZMJQESA-N
MW207.27 g/mol
LogP3.15
Rot. Bonds2

About 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol

2-(2,2-dimethylpropylideneamino)-5-methoxyphenol (PubChem CID 15470269) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol.

Molecular Properties

Compound Name2-(2,2-dimethylpropylideneamino)-5-methoxyphenol
PubChem CID15470269
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(2,2-dimethylpropylideneamino)-5-methoxyphenol
SMILESCOc1ccc(/N=C/C(C)(C)C)c(O)c1
InChIInChI=1S/C12H17NO2/c1-12(2,3)8-13-10-6-5-9(15-4)7-11(10)14/h5-8,14H,1-4H3/b13-8+
InChIKeyXTNPXJKACRZSAZ-MDWZMJQESA-N
XLogP3.15
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2,2-dimethylpropan-1-imine
CID 5197614
5-bromo-2-[(3-methoxyphenyl)methylideneamino]phenol
CID 142246969
3-(2-hydroxy-4-methoxyphenyl)-3-methylbutanal
CID 23504356
4-(2,2-dimethylpropylideneamino)phenol
CID 131238299
2-tert-butyl-4-methoxyphenol;ethane
CID 91123159
10-(2-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10471763
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
2-[(2-bromophenyl)iminomethyl]-5-methoxyphenol
CID 137224260
2-[[1-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-5-methoxyphenol
CID 136721460
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol?
The IUPAC name of 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol (CID 15470269) is 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol.
What is the SMILES notation for 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol?
The canonical SMILES for 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol is COc1ccc(/N=C/C(C)(C)C)c(O)c1.
What is the InChIKey of 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol?
The InChIKey is XTNPXJKACRZSAZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,3)8-13-10-6-5-9(15-4)7-11(10)14/h5-8,14H,1-4H3/b13-8+.
What are the key properties of 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol?
2-(2,2-dimethylpropylideneamino)-5-methoxyphenol has a molecular weight of 207.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylideneamino)-5-methoxyphenol is sourced from PubChem (CID 15470269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).