2-(2-methylbutan-2-yliminomethyl)phenol

C12H17NO — CID 153389272

IUPAC2-(2-methylbutan-2-yliminomethyl)phenol
SMILESCCC(C)(C)/N=C/c1ccccc1O
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-9-10-7-5-6-8-11(10)14/h5-9,14H,4H2,1-3H3/b13-9+
InChIKeyQXYXEVGUJGGNIE-UKTHLTGXSA-N
MW191.27 g/mol
LogP3.00
Rot. Bonds3

About 2-(2-methylbutan-2-yliminomethyl)phenol

2-(2-methylbutan-2-yliminomethyl)phenol (PubChem CID 153389272) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(2-methylbutan-2-yliminomethyl)phenol
PubChem CID153389272
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(2-methylbutan-2-yliminomethyl)phenol
SMILESCCC(C)(C)/N=C/c1ccccc1O
InChIInChI=1S/C12H17NO/c1-4-12(2,3)13-9-10-7-5-6-8-11(10)14/h5-9,14H,4H2,1-3H3/b13-9+
InChIKeyQXYXEVGUJGGNIE-UKTHLTGXSA-N
XLogP3.00
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 ≤ 53.00
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-[(2-hydroxyphenyl)methylideneamino]-2-methylpropane-1,3-diolate
CID 136744013
2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanal
CID 136613128
2-[(E)-trifluoromethyliminomethyl]phenol
CID 177436238
methyl 2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropanoate
CID 136898417
5-(dimethylamino)-2-[[1-[(2-hydroxyphenyl)methylideneamino]-2-methylpropan-2-yl]iminomethyl]phenol;5-(dimethylamino)-2-[[2-[(2-hydroxyphenyl)methylideneamino]-2-methylpropyl]iminomethyl]phenol;molecular iodine
CID 161425693
zinc 2-(methyliminomethyl)phenol
CID 135422153
ethane;2-(methyliminomethyl)phenol
CID 136650397
CID 155704691
CID 155704691
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
2-(2-methylbutan-2-yliminomethyl)-4-[(3-methylimidazol-3-ium-1-yl)methyl]phenol
CID 149295672
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol;yttrium
CID 136641033

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yliminomethyl)phenol?
The IUPAC name of 2-(2-methylbutan-2-yliminomethyl)phenol (CID 153389272) is 2-(2-methylbutan-2-yliminomethyl)phenol.
What is the SMILES notation for 2-(2-methylbutan-2-yliminomethyl)phenol?
The canonical SMILES for 2-(2-methylbutan-2-yliminomethyl)phenol is CCC(C)(C)/N=C/c1ccccc1O.
What is the InChIKey of 2-(2-methylbutan-2-yliminomethyl)phenol?
The InChIKey is QXYXEVGUJGGNIE-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-12(2,3)13-9-10-7-5-6-8-11(10)14/h5-9,14H,4H2,1-3H3/b13-9+.
What are the key properties of 2-(2-methylbutan-2-yliminomethyl)phenol?
2-(2-methylbutan-2-yliminomethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yliminomethyl)phenol is sourced from PubChem (CID 153389272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).