N-(2-ethoxyethyl)-1-phenylethanimine

C12H17NO — CID 11084688

IUPACN-(2-ethoxyethyl)-1-phenylethanimine
SMILESCCOCC/N=C(\C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-14-10-9-13-11(2)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3/b13-11+
InChIKeySVRFLGWLQQFTNT-ACCUITESSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds5

About N-(2-ethoxyethyl)-1-phenylethanimine

N-(2-ethoxyethyl)-1-phenylethanimine (PubChem CID 11084688) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-1-phenylethanimine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-1-phenylethanimine
PubChem CID11084688
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(2-ethoxyethyl)-1-phenylethanimine
SMILESCCOCC/N=C(\C)c1ccccc1
InChIInChI=1S/C12H17NO/c1-3-14-10-9-13-11(2)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3/b13-11+
InChIKeySVRFLGWLQQFTNT-ACCUITESSA-N
XLogP2.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
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)-1-phenylethanimine?
The IUPAC name of N-(2-ethoxyethyl)-1-phenylethanimine (CID 11084688) is N-(2-ethoxyethyl)-1-phenylethanimine.
What is the SMILES notation for N-(2-ethoxyethyl)-1-phenylethanimine?
The canonical SMILES for N-(2-ethoxyethyl)-1-phenylethanimine is CCOCC/N=C(\C)c1ccccc1.
What is the InChIKey of N-(2-ethoxyethyl)-1-phenylethanimine?
The InChIKey is SVRFLGWLQQFTNT-ACCUITESSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-14-10-9-13-11(2)12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3/b13-11+.
What are the key properties of N-(2-ethoxyethyl)-1-phenylethanimine?
N-(2-ethoxyethyl)-1-phenylethanimine has a molecular weight of 191.27 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-1-phenylethanimine is sourced from PubChem (CID 11084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).