N-(ethoxymethyl)-2-phenylethanimine

C11H15NO — CID 67572632

IUPACN-(ethoxymethyl)-2-phenylethanimine
SMILESCCOCN=CCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-13-10-12-9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3
InChIKeyGPZCYHOARKBPSB-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.29
Rot. Bonds5

About N-(ethoxymethyl)-2-phenylethanimine

N-(ethoxymethyl)-2-phenylethanimine (PubChem CID 67572632) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is N-(ethoxymethyl)-2-phenylethanimine.

Molecular Properties

Compound NameN-(ethoxymethyl)-2-phenylethanimine
PubChem CID67572632
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC NameN-(ethoxymethyl)-2-phenylethanimine
SMILESCCOCN=CCc1ccccc1
InChIInChI=1S/C11H15NO/c1-2-13-10-12-9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3
InChIKeyGPZCYHOARKBPSB-UHFFFAOYSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.29
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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Related Compounds

CID 73954
CID 73954
CID 111239
CID 111239
CID 250250
CID 250250
CID 11506476
CID 11506476
CID 97677
CID 97677
CID 15638563
CID 15638563
CID 222072
CID 222072
CID 232154
CID 232154
CID 576349
CID 576349
CID 54141679
CID 54141679
CID 9602814
CID 9602814
CID 9603202
CID 9603202

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-2-phenylethanimine?
The IUPAC name of N-(ethoxymethyl)-2-phenylethanimine (CID 67572632) is N-(ethoxymethyl)-2-phenylethanimine.
What is the SMILES notation for N-(ethoxymethyl)-2-phenylethanimine?
The canonical SMILES for N-(ethoxymethyl)-2-phenylethanimine is CCOCN=CCc1ccccc1.
What is the InChIKey of N-(ethoxymethyl)-2-phenylethanimine?
The InChIKey is GPZCYHOARKBPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-13-10-12-9-8-11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3.
What are the key properties of N-(ethoxymethyl)-2-phenylethanimine?
N-(ethoxymethyl)-2-phenylethanimine has a molecular weight of 177.25 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-2-phenylethanimine is sourced from PubChem (CID 67572632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).