1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine

C14H18F2N2O3 — CID 4775466

IUPAC1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine
SMILESCCOc1cc(C=NN2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-2-20-13-9-11(3-4-12(13)21-14(15)16)10-17-18-5-7-19-8-6-18/h3-4,9-10,14H,2,5-8H2,1H3
InChIKeyJJZVNGJLJUCXPD-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.35
Rot. Bonds6

About 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine

1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine (PubChem CID 4775466) has the molecular formula C14H18F2N2O3 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine
PubChem CID4775466
Molecular FormulaC14H18F2N2O3
Molecular Weight300.31 g/mol
Exact Mass300.13
IUPAC Name1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine
SMILESCCOc1cc(C=NN2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C14H18F2N2O3/c1-2-20-13-9-11(3-4-12(13)21-14(15)16)10-17-18-5-7-19-8-6-18/h3-4,9-10,14H,2,5-8H2,1H3
InChIKeyJJZVNGJLJUCXPD-UHFFFAOYSA-N
XLogP2.35
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine?
The IUPAC name of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine (CID 4775466) is 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine is CCOc1cc(C=NN2CCOCC2)ccc1OC(F)F.
What is the InChIKey of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine?
The InChIKey is JJZVNGJLJUCXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O3/c1-2-20-13-9-11(3-4-12(13)21-14(15)16)10-17-18-5-7-19-8-6-18/h3-4,9-10,14H,2,5-8H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine?
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine has a molecular weight of 300.31 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 4775466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).