N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine

C16H16FNO — CID 144501350

IUPACN-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine
SMILESC=Nc1cc(-c2cc(F)cc(OCC)c2)ccc1C
InChIInChI=1S/C16H16FNO/c1-4-19-15-8-13(7-14(17)10-15)12-6-5-11(2)16(9-12)18-3/h5-10H,3-4H2,1-2H3
InChIKeyJGNDTIJXQAGRFP-UHFFFAOYSA-N
MW257.31 g/mol
LogP4.53
Rot. Bonds4

About N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine

N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine (PubChem CID 144501350) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine.

Molecular Properties

Compound NameN-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine
PubChem CID144501350
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC NameN-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine
SMILESC=Nc1cc(-c2cc(F)cc(OCC)c2)ccc1C
InChIInChI=1S/C16H16FNO/c1-4-19-15-8-13(7-14(17)10-15)12-6-5-11(2)16(9-12)18-3/h5-10H,3-4H2,1-2H3
InChIKeyJGNDTIJXQAGRFP-UHFFFAOYSA-N
XLogP4.53
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 66997355
6-Phenylmethoxy-3,4-dihydroquinoline
CID 44565816
5-(3-Butoxy-2,6-difluorophenyl)-2-methoxyaniline
CID 49836331
6-(Allyloxy)-3-(4-methoxyphenyl)-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643178
3-(4-Methoxyphenyl)-7-methyl-3-(trifluoromethyl)-3,4-dihydroquinoline
CID 172643295
N-[3-(benzyloxy)benzylidene]-N-(3,5-dimethylphenyl)amine
CID 1223207
N-{(E)-[3-(benzyloxy)phenyl]methylidene}-4-fluoroaniline
CID 785904
N-(3-fluoro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 794207
(Z)-(4-Fluorophenyl N-(2-ethylphenyl)benzenecarboximidate)
CID 5036625
N'-[2,5-dimethyl-4-[3-(trifluoromethyl)phenoxy]phenyl]-N-ethyl-N-methylmethanimidamide
CID 9841322
N-ethyl-N'-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-2,5-dimethylphenyl]-N-methylmethanimidamide
CID 10248439
4-Fluoro-3'-ethoxy-3-nitrobiphenyl
CID 10563347

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine?
The IUPAC name of N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine (CID 144501350) is N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine.
What is the SMILES notation for N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine?
The canonical SMILES for N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine is C=Nc1cc(-c2cc(F)cc(OCC)c2)ccc1C.
What is the InChIKey of N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine?
The InChIKey is JGNDTIJXQAGRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-4-19-15-8-13(7-14(17)10-15)12-6-5-11(2)16(9-12)18-3/h5-10H,3-4H2,1-2H3.
What are the key properties of N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine?
N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine has a molecular weight of 257.31 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-ethoxy-5-fluorophenyl)-2-methylphenyl]methanimine is sourced from PubChem (CID 144501350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).