4-methyl-2-(2-methylpropyliminomethyl)phenol

C12H17NO — CID 137081828

IUPAC4-methyl-2-(2-methylpropyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/CC(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)7-13-8-11-6-10(3)4-5-12(11)14/h4-6,8-9,14H,7H2,1-3H3/b13-8+
InChIKeyLULDYBKITCUCAL-MDWZMJQESA-N
MW191.27 g/mol
LogP2.78
Rot. Bonds3

About 4-methyl-2-(2-methylpropyliminomethyl)phenol

4-methyl-2-(2-methylpropyliminomethyl)phenol (PubChem CID 137081828) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 4-methyl-2-(2-methylpropyliminomethyl)phenol.

Molecular Properties

Compound Name4-methyl-2-(2-methylpropyliminomethyl)phenol
PubChem CID137081828
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name4-methyl-2-(2-methylpropyliminomethyl)phenol
SMILESCc1ccc(O)c(/C=N/CC(C)C)c1
InChIInChI=1S/C12H17NO/c1-9(2)7-13-8-11-6-10(3)4-5-12(11)14/h4-6,8-9,14H,7H2,1-3H3/b13-8+
InChIKeyLULDYBKITCUCAL-MDWZMJQESA-N
XLogP2.78
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(2-hydroxy-5-methylphenyl)methylideneamino]butyliminomethyl]-4-methylphenol
CID 136759942
2-[[(1S,2S)-2-[(2-hydroxy-5-methylphenyl)methylideneamino]-1,2-diphenylethyl]iminomethyl]-4-methylphenol
CID 136866110
2-[(E)-methoxyiminomethyl]-4-methylphenol
CID 137270598
4-methyl-2-[(4-methylphenyl)iminomethyl]phenol
CID 3627082
2-[(1-hydroxy-1-phenylpropan-2-yl)iminomethyl]-4-methylphenol
CID 136861223
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
CID 136996443
4-butan-2-yl-2-[[(2S)-2-[(5-butan-2-yl-2-hydroxyphenyl)methylideneamino]propyl]iminomethyl]phenol
CID 136694434
2-[2-[[2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137122372
4-methyl-2-[(2-methylphenyl)iminomethyl]phenol
CID 136675822
2-[[3-[(2-hydroxy-5-methylphenyl)methylideneamino]naphthalen-2-yl]iminomethyl]-4-methylphenol
CID 137037421
bis[(2-hydroxy-5-methylphenyl)methylidene]titanium
CID 174378495
4-bromo-2-[[2-hydroxy-2-(2-methylphenyl)ethyl]iminomethyl]phenol
CID 136703873

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2-methylpropyliminomethyl)phenol?
The IUPAC name of 4-methyl-2-(2-methylpropyliminomethyl)phenol (CID 137081828) is 4-methyl-2-(2-methylpropyliminomethyl)phenol.
What is the SMILES notation for 4-methyl-2-(2-methylpropyliminomethyl)phenol?
The canonical SMILES for 4-methyl-2-(2-methylpropyliminomethyl)phenol is Cc1ccc(O)c(/C=N/CC(C)C)c1.
What is the InChIKey of 4-methyl-2-(2-methylpropyliminomethyl)phenol?
The InChIKey is LULDYBKITCUCAL-MDWZMJQESA-N. The full InChI is InChI=1S/C12H17NO/c1-9(2)7-13-8-11-6-10(3)4-5-12(11)14/h4-6,8-9,14H,7H2,1-3H3/b13-8+.
What are the key properties of 4-methyl-2-(2-methylpropyliminomethyl)phenol?
4-methyl-2-(2-methylpropyliminomethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2-methylpropyliminomethyl)phenol is sourced from PubChem (CID 137081828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).