1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine

C18H19ClN2O3 — CID 20684350

IUPAC1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
SMILESCCO/N=C(C(\C)=N\OC)/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-4-23-21-18(13(2)20-22-3)14-5-9-16(10-6-14)24-17-11-7-15(19)8-12-17/h5-12H,4H2,1-3H3/b20-13+,21-18+
InChIKeyDIZQUTAAPYFKPF-NQUFBGNASA-N
MW346.81 g/mol
LogP4.90
Rot. Bonds7

About 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine

1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine (PubChem CID 20684350) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine.

Molecular Properties

Compound Name1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
PubChem CID20684350
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
SMILESCCO/N=C(C(\C)=N\OC)/c1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-4-23-21-18(13(2)20-22-3)14-5-9-16(10-6-14)24-17-11-7-15(19)8-12-17/h5-12H,4H2,1-3H3/b20-13+,21-18+
InChIKeyDIZQUTAAPYFKPF-NQUFBGNASA-N
XLogP4.90
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-propoxypropane-1,2-diimine
CID 20684351
1-(4-bromophenyl)-1-N-ethoxy-2-N-methoxypropane-1,2-diimine
CID 20684356
(NE)-N-[(1Z)-1-(4-chlorophenyl)-1-methoxyiminopropan-2-ylidene]hydroxylamine
CID 135597868
1-(4-chlorophenyl)-2-hydrazinylidene-N-methoxypropan-1-imine
CID 86757955
1-N,2-N-dimethoxy-1-(4-propoxyphenyl)propane-1,2-diimine
CID 72609352
1-(4-ethylphenyl)-1-N,2-N-dimethoxypropane-1,2-diimine
CID 59967575
(NE)-N-[(1E)-1-ethoxyimino-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]propan-2-ylidene]hydroxylamine
CID 135545163
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
methyl (2E)-2-(4-chlorophenyl)-2-methoxyiminoacetate
CID 15416041
3-[[3-[4-(4-chlorophenoxy)phenyl]-3-ethoxyiminoprop-1-en-2-yl]amino]oxy-2-(methoxyamino)-N-methyl-N-phenylprop-2-enamide
CID 57173841
methyl 2-[2-[[[3-[4-(4-chlorophenoxy)phenyl]-3-ethoxyiminoprop-1-en-2-yl]amino]oxymethyl]phenyl]-3-methoxyprop-2-enoate
CID 57092395
1,4-bis(4-chlorophenoxy)benzene
CID 10996522

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine?
The IUPAC name of 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine (CID 20684350) is 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine.
What is the SMILES notation for 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine?
The canonical SMILES for 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine is CCO/N=C(C(\C)=N\OC)/c1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine?
The InChIKey is DIZQUTAAPYFKPF-NQUFBGNASA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-4-23-21-18(13(2)20-22-3)14-5-9-16(10-6-14)24-17-11-7-15(19)8-12-17/h5-12H,4H2,1-3H3/b20-13+,21-18+.
What are the key properties of 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine?
1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine has a molecular weight of 346.81 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenoxy)phenyl]-1-N-ethoxy-2-N-methoxypropane-1,2-diimine is sourced from PubChem (CID 20684350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).