(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine

C14H20ClNO3 — CID 10517282

IUPAC(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
SMILESCCOC(CO/N=C(\C)c1ccc(Cl)cc1)OCC
InChIInChI=1S/C14H20ClNO3/c1-4-17-14(18-5-2)10-19-16-11(3)12-6-8-13(15)9-7-12/h6-9,14H,4-5,10H2,1-3H3/b16-11+
InChIKeyFLYCYBFDGHUDMK-LFIBNONCSA-N
MW285.77 g/mol
LogP3.48
Rot. Bonds8

About (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine

(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine (PubChem CID 10517282) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine.

Molecular Properties

Compound Name(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
PubChem CID10517282
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine
SMILESCCOC(CO/N=C(\C)c1ccc(Cl)cc1)OCC
InChIInChI=1S/C14H20ClNO3/c1-4-17-14(18-5-2)10-19-16-11(3)12-6-8-13(15)9-7-12/h6-9,14H,4-5,10H2,1-3H3/b16-11+
InChIKeyFLYCYBFDGHUDMK-LFIBNONCSA-N
XLogP3.48
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 6914396
2-[1-(4-chlorophenyl)ethylideneamino]oxy-N,N-dimethylethanamine
CID 3059120
(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
CID 10706817
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
4-(N-ethoxy-C-methylcarbonimidoyl)benzene-1,2-diol
CID 137214322
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684350
2-amino-1-[4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]phenyl]pentan-3-one
CID 145131332
4-[(Z)-N-ethoxy-C-methylcarbonimidoyl]-2-methylphenol
CID 136994688
(2S)-2-amino-1-[4-[(E)-N-ethoxy-C-methylcarbonimidoyl]phenyl]-4-methylpentan-3-one
CID 162697786
(E)-N-[(4-chlorophenyl)methoxy]-1-pyrimidin-5-ylethanimine
CID 142638631
triethyl-[2-hydroxy-3-[(E)-1-phenylethylideneamino]oxypropyl]azanium
CID 10547331

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine?
The IUPAC name of (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine (CID 10517282) is (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine.
What is the SMILES notation for (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine?
The canonical SMILES for (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine is CCOC(CO/N=C(\C)c1ccc(Cl)cc1)OCC.
What is the InChIKey of (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine?
The InChIKey is FLYCYBFDGHUDMK-LFIBNONCSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-17-14(18-5-2)10-19-16-11(3)12-6-8-13(15)9-7-12/h6-9,14H,4-5,10H2,1-3H3/b16-11+.
What are the key properties of (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine?
(E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine has a molecular weight of 285.77 g/mol, XLogP of 3.48, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-chlorophenyl)-N-(2,2-diethoxyethoxy)ethanimine is sourced from PubChem (CID 10517282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).