N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

C23H29FN2O2 — CID 167445114

IUPACN'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cc(C)cc(C)c3)COC2)cc1C
InChIInChI=1S/C23H29FN2O2/c1-6-26(5)15-25-22-11-21(24)20(10-18(22)4)23(13-27-14-23)28-12-19-8-16(2)7-17(3)9-19/h7-11,15H,6,12-14H2,1-5H3/b25-15+
InChIKeyMAYYSXLKWDTSHO-MFKUBSTISA-N
MW384.50 g/mol
LogP4.80
Rot. Bonds7

About N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide

N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (PubChem CID 167445114) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.

Molecular Properties

Compound NameN'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
PubChem CID167445114
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide
SMILESCCN(C)/C=N/c1cc(F)c(C2(OCc3cc(C)cc(C)c3)COC2)cc1C
InChIInChI=1S/C23H29FN2O2/c1-6-26(5)15-25-22-11-21(24)20(10-18(22)4)23(13-27-14-23)28-12-19-8-16(2)7-17(3)9-19/h7-11,15H,6,12-14H2,1-5H3/b25-15+
InChIKeyMAYYSXLKWDTSHO-MFKUBSTISA-N
XLogP4.80
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.80
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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Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The IUPAC name of N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide (CID 167445114) is N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide.
What is the SMILES notation for N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The canonical SMILES for N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is CCN(C)/C=N/c1cc(F)c(C2(OCc3cc(C)cc(C)c3)COC2)cc1C.
What is the InChIKey of N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
The InChIKey is MAYYSXLKWDTSHO-MFKUBSTISA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-6-26(5)15-25-22-11-21(24)20(10-18(22)4)23(13-27-14-23)28-12-19-8-16(2)7-17(3)9-19/h7-11,15H,6,12-14H2,1-5H3/b25-15+.
What are the key properties of N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide?
N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide has a molecular weight of 384.50 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-[(3,5-dimethylphenyl)methoxy]oxetan-3-yl]-5-fluoro-2-methylphenyl]-N-ethyl-N-methylmethanimidamide is sourced from PubChem (CID 167445114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).