2-[(4-propan-2-ylphenyl)methylideneamino]ethanol

C12H17NO — CID 2189858

IUPAC2-[(4-propan-2-ylphenyl)methylideneamino]ethanol
SMILESCC(C)c1ccc(/C=N/CCO)cc1
InChIInChI=1S/C12H17NO/c1-10(2)12-5-3-11(4-6-12)9-13-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3/b13-9+
InChIKeyFNAMXFDMJIWESX-UKTHLTGXSA-N
MW191.27 g/mol
LogP2.22
Rot. Bonds4

About 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol

2-[(4-propan-2-ylphenyl)methylideneamino]ethanol (PubChem CID 2189858) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol.

Molecular Properties

Compound Name2-[(4-propan-2-ylphenyl)methylideneamino]ethanol
PubChem CID2189858
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-[(4-propan-2-ylphenyl)methylideneamino]ethanol
SMILESCC(C)c1ccc(/C=N/CCO)cc1
InChIInChI=1S/C12H17NO/c1-10(2)12-5-3-11(4-6-12)9-13-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3/b13-9+
InChIKeyFNAMXFDMJIWESX-UKTHLTGXSA-N
XLogP2.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol?
The IUPAC name of 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol (CID 2189858) is 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol.
What is the SMILES notation for 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol?
The canonical SMILES for 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol is CC(C)c1ccc(/C=N/CCO)cc1.
What is the InChIKey of 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol?
The InChIKey is FNAMXFDMJIWESX-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO/c1-10(2)12-5-3-11(4-6-12)9-13-7-8-14/h3-6,9-10,14H,7-8H2,1-2H3/b13-9+.
What are the key properties of 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol?
2-[(4-propan-2-ylphenyl)methylideneamino]ethanol has a molecular weight of 191.27 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylphenyl)methylideneamino]ethanol is sourced from PubChem (CID 2189858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).