(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine

C18H20Cl2N2O2 — CID 141076402

IUPAC(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
SMILESCON(C)CC/C(=N\OCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(23-2)11-10-18(14-6-4-3-5-7-14)21-24-13-15-8-9-16(19)12-17(15)20/h3-9,12H,10-11,13H2,1-2H3/b21-18+
InChIKeyKQPAJFTYIFGERY-DYTRJAOYSA-N
MW367.28 g/mol
LogP4.80
Rot. Bonds8

About (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine

(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine (PubChem CID 141076402) has the molecular formula C18H20Cl2N2O2 and a molecular weight of 367.28 g/mol. Its IUPAC name is (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine.

Molecular Properties

Compound Name(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
PubChem CID141076402
Molecular FormulaC18H20Cl2N2O2
Molecular Weight367.28 g/mol
Exact Mass366.09
IUPAC Name(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine
SMILESCON(C)CC/C(=N\OCc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H20Cl2N2O2/c1-22(23-2)11-10-18(14-6-4-3-5-7-14)21-24-13-15-8-9-16(19)12-17(15)20/h3-9,12H,10-11,13H2,1-2H3/b21-18+
InChIKeyKQPAJFTYIFGERY-DYTRJAOYSA-N
XLogP4.80
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
N'-[(2,4-dichlorophenyl)methoxy]pyridine-4-carboximidamide
CID 3838866
methyl (2S,3Z)-2-benzamido-3-[(2,4-dichlorophenyl)methoxyimino]propanoate
CID 40512717
2-(2,4-dichlorophenyl)-N-methoxy-N-methylacetamide
CID 18445352
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
N-[(2,4-dichlorophenyl)methoxy]-1-(1-phenyltriazol-4-yl)methanimine
CID 5142873
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
CID 171982927
1-(2,4-dichlorophenyl)-N-methoxypropan-2-imine
CID 76787514
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(4Z)-4-(3-chlorophenyl)-4-methoxyiminobutanoic acid
CID 44622472
3-[(2,4-dichlorophenyl)methoxyimino]-2-phenyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 54562193
1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-(1,2,4-triazol-1-yl)ethanimine
CID 54420429

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine?
The IUPAC name of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine (CID 141076402) is (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine.
What is the SMILES notation for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine?
The canonical SMILES for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine is CON(C)CC/C(=N\OCc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine?
The InChIKey is KQPAJFTYIFGERY-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O2/c1-22(23-2)11-10-18(14-6-4-3-5-7-14)21-24-13-15-8-9-16(19)12-17(15)20/h3-9,12H,10-11,13H2,1-2H3/b21-18+.
What are the key properties of (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine?
(3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine has a molecular weight of 367.28 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2,4-dichlorophenyl)methoxyimino]-N-methoxy-N-methyl-3-phenylpropan-1-amine is sourced from PubChem (CID 141076402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).