2,2-dimethoxy-N-(1-phenylethyl)ethanimine

C12H17NO2 — CID 11651382

IUPAC2,2-dimethoxy-N-(1-phenylethyl)ethanimine
SMILESCOC(/C=N/C(C)c1ccccc1)OC
InChIInChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+
InChIKeyBBXIWRCTYUYRFH-UKTHLTGXSA-N
MW207.27 g/mol
LogP2.44
Rot. Bonds5

About 2,2-dimethoxy-N-(1-phenylethyl)ethanimine

2,2-dimethoxy-N-(1-phenylethyl)ethanimine (PubChem CID 11651382) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2,2-dimethoxy-N-(1-phenylethyl)ethanimine.

Molecular Properties

Compound Name2,2-dimethoxy-N-(1-phenylethyl)ethanimine
PubChem CID11651382
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2,2-dimethoxy-N-(1-phenylethyl)ethanimine
SMILESCOC(/C=N/C(C)c1ccccc1)OC
InChIInChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+
InChIKeyBBXIWRCTYUYRFH-UKTHLTGXSA-N
XLogP2.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-(1-phenylethyl)ethanimine?
The IUPAC name of 2,2-dimethoxy-N-(1-phenylethyl)ethanimine (CID 11651382) is 2,2-dimethoxy-N-(1-phenylethyl)ethanimine.
What is the SMILES notation for 2,2-dimethoxy-N-(1-phenylethyl)ethanimine?
The canonical SMILES for 2,2-dimethoxy-N-(1-phenylethyl)ethanimine is COC(/C=N/C(C)c1ccccc1)OC.
What is the InChIKey of 2,2-dimethoxy-N-(1-phenylethyl)ethanimine?
The InChIKey is BBXIWRCTYUYRFH-UKTHLTGXSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(11-7-5-4-6-8-11)13-9-12(14-2)15-3/h4-10,12H,1-3H3/b13-9+.
What are the key properties of 2,2-dimethoxy-N-(1-phenylethyl)ethanimine?
2,2-dimethoxy-N-(1-phenylethyl)ethanimine has a molecular weight of 207.27 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-(1-phenylethyl)ethanimine is sourced from PubChem (CID 11651382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).