N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine

C24H24FNO4 — CID 22857844

IUPACN-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine
SMILESCC1(C=NOc2cc(F)cc(OCc3ccc4ccccc4c3)c2)COC(C)(C)O1
InChIInChI=1S/C24H24FNO4/c1-23(2)28-16-24(3,30-23)15-26-29-22-12-20(25)11-21(13-22)27-14-17-8-9-18-6-4-5-7-19(18)10-17/h4-13,15H,14,16H2,1-3H3
InChIKeyIHRWVQPHGZDXDF-UHFFFAOYSA-N
MW409.46 g/mol
LogP5.46
Rot. Bonds6

About N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine

N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine (PubChem CID 22857844) has the molecular formula C24H24FNO4 and a molecular weight of 409.46 g/mol. Its IUPAC name is N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine.

Molecular Properties

Compound NameN-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine
PubChem CID22857844
Molecular FormulaC24H24FNO4
Molecular Weight409.46 g/mol
Exact Mass409.17
IUPAC NameN-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine
SMILESCC1(C=NOc2cc(F)cc(OCc3ccc4ccccc4c3)c2)COC(C)(C)O1
InChIInChI=1S/C24H24FNO4/c1-23(2)28-16-24(3,30-23)15-26-29-22-12-20(25)11-21(13-22)27-14-17-8-9-18-6-4-5-7-19(18)10-17/h4-13,15H,14,16H2,1-3H3
InChIKeyIHRWVQPHGZDXDF-UHFFFAOYSA-N
XLogP5.46
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine?
The IUPAC name of N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine (CID 22857844) is N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine.
What is the SMILES notation for N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine?
The canonical SMILES for N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine is CC1(C=NOc2cc(F)cc(OCc3ccc4ccccc4c3)c2)COC(C)(C)O1.
What is the InChIKey of N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine?
The InChIKey is IHRWVQPHGZDXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO4/c1-23(2)28-16-24(3,30-23)15-26-29-22-12-20(25)11-21(13-22)27-14-17-8-9-18-6-4-5-7-19(18)10-17/h4-13,15H,14,16H2,1-3H3.
What are the key properties of N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine?
N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine has a molecular weight of 409.46 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-5-(naphthalen-2-ylmethoxy)phenoxy]-1-(2,2,4-trimethyl-1,3-dioxolan-4-yl)methanimine is sourced from PubChem (CID 22857844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).