1-(3-propan-2-yloxyphenyl)ethanimine

C11H15NO — CID 144635422

IUPAC1-(3-propan-2-yloxyphenyl)ethanimine
SMILES[H]/N=C(\C)c1cccc(OC(C)C)c1
InChIInChI=1S/C11H15NO/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-8,12H,1-3H3/b12-9+
InChIKeyRIFFNCRZJSGPBJ-FMIVXFBMSA-N
MW177.25 g/mol
LogP2.86
Rot. Bonds3

About 1-(3-propan-2-yloxyphenyl)ethanimine

1-(3-propan-2-yloxyphenyl)ethanimine (PubChem CID 144635422) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-propan-2-yloxyphenyl)ethanimine.

Molecular Properties

Compound Name1-(3-propan-2-yloxyphenyl)ethanimine
PubChem CID144635422
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-propan-2-yloxyphenyl)ethanimine
SMILES[H]/N=C(\C)c1cccc(OC(C)C)c1
InChIInChI=1S/C11H15NO/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-8,12H,1-3H3/b12-9+
InChIKeyRIFFNCRZJSGPBJ-FMIVXFBMSA-N
XLogP2.86
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.86
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

N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
2-(3-propan-2-yloxyphenyl)prop-2-en-1-ol
CID 118140907
4-oxo-4-(3-propan-2-yloxyphenyl)butanenitrile
CID 61213015
1-(3-propan-2-yloxyphenyl)but-2-en-1-one
CID 162367097
3-ethanimidoyl-N,N-di(propan-2-yl)benzenecarboximidamide
CID 162277970
1-(3-chlorophenyl)ethanimine;hydrate
CID 162337384
1-(3-tert-butylphenyl)ethanimine
CID 175635201
(3-carbamimidoylphenyl) (2S)-2-aminopropanoate
CID 68930399
3-butan-2-yloxybenzenecarboximidamide
CID 42656931
3-amino-1-(3-propan-2-yloxyphenyl)butan-1-one
CID 116555955
(3,4-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanone
CID 63491128
(3-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 63492313

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yloxyphenyl)ethanimine?
The IUPAC name of 1-(3-propan-2-yloxyphenyl)ethanimine (CID 144635422) is 1-(3-propan-2-yloxyphenyl)ethanimine.
What is the SMILES notation for 1-(3-propan-2-yloxyphenyl)ethanimine?
The canonical SMILES for 1-(3-propan-2-yloxyphenyl)ethanimine is [H]/N=C(\C)c1cccc(OC(C)C)c1.
What is the InChIKey of 1-(3-propan-2-yloxyphenyl)ethanimine?
The InChIKey is RIFFNCRZJSGPBJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H15NO/c1-8(2)13-11-6-4-5-10(7-11)9(3)12/h4-8,12H,1-3H3/b12-9+.
What are the key properties of 1-(3-propan-2-yloxyphenyl)ethanimine?
1-(3-propan-2-yloxyphenyl)ethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yloxyphenyl)ethanimine is sourced from PubChem (CID 144635422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).