ethane;2-(methyliminomethyl)phenol

C10H15NO — CID 136650397

IUPACethane;2-(methyliminomethyl)phenol
SMILESC/N=C/c1ccccc1O.CC
InChIInChI=1S/C8H9NO.C2H6/c1-9-6-7-4-2-3-5-8(7)10;1-2/h2-6,10H,1H3;1-2H3/b9-6+;
InChIKeyPOTWVTJFHSPTIX-MLBSPLJJSA-N
MW165.24 g/mol
LogP2.47
Rot. Bonds1

About ethane;2-(methyliminomethyl)phenol

ethane;2-(methyliminomethyl)phenol (PubChem CID 136650397) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is ethane;2-(methyliminomethyl)phenol.

Molecular Properties

Compound Nameethane;2-(methyliminomethyl)phenol
PubChem CID136650397
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Nameethane;2-(methyliminomethyl)phenol
SMILESC/N=C/c1ccccc1O.CC
InChIInChI=1S/C8H9NO.C2H6/c1-9-6-7-4-2-3-5-8(7)10;1-2/h2-6,10H,1H3;1-2H3/b9-6+;
InChIKeyPOTWVTJFHSPTIX-MLBSPLJJSA-N
XLogP2.47
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.47
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

zinc 2-(methyliminomethyl)phenol
CID 135422153
CID 155704691
CID 155704691
2-[1-[(2-hydroxyphenyl)methylideneamino]prop-1-enyliminomethyl]phenol
CID 173045611
ethane;N-methyl-1-(2-methylphenyl)methanimine
CID 91511735
cobalt;bis(2-(hydroxyiminomethyl)phenol)
CID 158420458
copper 2-[(E)-hydroxyiminomethyl]phenol
CID 135422084
2-[(E)-fluoroiminomethyl]phenol
CID 137273576
sodium;hydride;2-[(Z)-hydroxyiminomethyl]phenol
CID 173437393
2-[(E)-[(Z)-(2-methylphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135478768
bis(2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol);iron;methanol
CID 135440481
ethane;N-[(E)-(2-hydroxyphenyl)methylideneamino]formamide;tin(4+)
CID 135860591
4-(methyliminomethyl)benzene-1,3-diol
CID 136600311

Frequently Asked Questions

What is the IUPAC name of ethane;2-(methyliminomethyl)phenol?
The IUPAC name of ethane;2-(methyliminomethyl)phenol (CID 136650397) is ethane;2-(methyliminomethyl)phenol.
What is the SMILES notation for ethane;2-(methyliminomethyl)phenol?
The canonical SMILES for ethane;2-(methyliminomethyl)phenol is C/N=C/c1ccccc1O.CC.
What is the InChIKey of ethane;2-(methyliminomethyl)phenol?
The InChIKey is POTWVTJFHSPTIX-MLBSPLJJSA-N. The full InChI is InChI=1S/C8H9NO.C2H6/c1-9-6-7-4-2-3-5-8(7)10;1-2/h2-6,10H,1H3;1-2H3/b9-6+;.
What are the key properties of ethane;2-(methyliminomethyl)phenol?
ethane;2-(methyliminomethyl)phenol has a molecular weight of 165.24 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(methyliminomethyl)phenol is sourced from PubChem (CID 136650397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).