N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide

C27H32N2O2 — CID 69042396

IUPACN-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2cccc(C(Cc3ccccc3)OC)c2)cc1C
InChIInChI=1S/C27H32N2O2/c1-6-29(4)19-28-25-15-21(3)26(16-20(25)2)31-24-14-10-13-23(18-24)27(30-5)17-22-11-8-7-9-12-22/h7-16,18-19,27H,6,17H2,1-5H3/b28-19+
InChIKeyAYPLEJJZQQOMRH-TURZUDJPSA-N
MW416.57 g/mol
LogP6.64
Rot. Bonds9

About N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide

N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide (PubChem CID 69042396) has the molecular formula C27H32N2O2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide.

Molecular Properties

Compound NameN-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
PubChem CID69042396
Molecular FormulaC27H32N2O2
Molecular Weight416.57 g/mol
Exact Mass416.25
IUPAC NameN-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(C)c(Oc2cccc(C(Cc3ccccc3)OC)c2)cc1C
InChIInChI=1S/C27H32N2O2/c1-6-29(4)19-28-25-15-21(3)26(16-20(25)2)31-24-14-10-13-23(18-24)27(30-5)17-22-11-8-7-9-12-22/h7-16,18-19,27H,6,17H2,1-5H3/b28-19+
InChIKeyAYPLEJJZQQOMRH-TURZUDJPSA-N
XLogP6.64
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[4-[3-(2-hydroxyethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 69040886
N'-[5-(difluoromethyl)-4-[3-(2-fluoroethyl)phenoxy]-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 69048408
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-methylmethanimidamide
CID 68589913
N'-[2,5-dimethyl-4-[4-(4-methylsulfanylphenyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 68598189
N-ethyl-N'-[4-[3-fluoro-5-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 58214447
N-[[3-[4-[[ethyl(methyl)amino]methylideneamino]-2,5-dimethylphenoxy]phenyl]-methyl-oxo-λ6-sulfanylidene]cyclobutanecarboxamide
CID 146546070
N'-[4-(4-bromo-3-iodophenoxy)-2,5-dimethylphenyl]-N-methyl-N-propylmethanimidamide
CID 68588568
N'-[4-(4-chloro-3-propan-2-ylphenoxy)-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 142439547
2-[3-(1-methoxy-2-phenylethyl)phenoxy]ethanamine
CID 66742845
N'-[2-cyclopropyl-4-(2-fluorophenoxy)-5-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135123496
N'-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-5-methoxy-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
CID 135346369
N'-[4-(3,5-dibromophenoxy)-2,5-dimethylphenyl]-N-ethyl-N-propylmethanimidamide
CID 68589797

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The IUPAC name of N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide (CID 69042396) is N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide.
What is the SMILES notation for N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The canonical SMILES for N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide is CCN(C)/C=N/c1cc(C)c(Oc2cccc(C(Cc3ccccc3)OC)c2)cc1C.
What is the InChIKey of N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide?
The InChIKey is AYPLEJJZQQOMRH-TURZUDJPSA-N. The full InChI is InChI=1S/C27H32N2O2/c1-6-29(4)19-28-25-15-21(3)26(16-20(25)2)31-24-14-10-13-23(18-24)27(30-5)17-22-11-8-7-9-12-22/h7-16,18-19,27H,6,17H2,1-5H3/b28-19+.
What are the key properties of N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide?
N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide has a molecular weight of 416.57 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[4-[3-(1-methoxy-2-phenylethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide is sourced from PubChem (CID 69042396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).