N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine

C14H21NO — CID 14402796

IUPACN-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine
SMILESCCOCC/N=C(/c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO/c1-4-16-11-10-15-14(12(2)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/b15-14+
InChIKeyWLJHVVQTADQJKA-CCEZHUSRSA-N
MW219.33 g/mol
LogP3.17
Rot. Bonds6

About N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine

N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine (PubChem CID 14402796) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine
PubChem CID14402796
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine
SMILESCCOCC/N=C(/c1ccccc1)C(C)C
InChIInChI=1S/C14H21NO/c1-4-16-11-10-15-14(12(2)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/b15-14+
InChIKeyWLJHVVQTADQJKA-CCEZHUSRSA-N
XLogP3.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine?
The IUPAC name of N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine (CID 14402796) is N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine?
The canonical SMILES for N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine is CCOCC/N=C(/c1ccccc1)C(C)C.
What is the InChIKey of N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine?
The InChIKey is WLJHVVQTADQJKA-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-16-11-10-15-14(12(2)3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/b15-14+.
What are the key properties of N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine?
N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-methyl-1-phenylpropan-1-imine is sourced from PubChem (CID 14402796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).