(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine

C24H21Cl2NO2 — CID 40856977

IUPAC(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C(=N/OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-28-21-12-6-18(7-13-21)24(27-29-15-16-2-8-19(25)9-3-16)23-14-22(23)17-4-10-20(26)11-5-17/h2-13,22-23H,14-15H2,1H3/b27-24-/t22-,23+/m1/s1
InChIKeyHYENONJVQALLET-ONEIKTMUSA-N
MW426.34 g/mol
LogP6.73
Rot. Bonds7

About (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine

(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine (PubChem CID 40856977) has the molecular formula C24H21Cl2NO2 and a molecular weight of 426.34 g/mol. Its IUPAC name is (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
PubChem CID40856977
Molecular FormulaC24H21Cl2NO2
Molecular Weight426.34 g/mol
Exact Mass425.09
IUPAC Name(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C(=N/OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H21Cl2NO2/c1-28-21-12-6-18(7-13-21)24(27-29-15-16-2-8-19(25)9-3-16)23-14-22(23)17-4-10-20(26)11-5-17/h2-13,22-23H,14-15H2,1H3/b27-24-/t22-,23+/m1/s1
InChIKeyHYENONJVQALLET-ONEIKTMUSA-N
XLogP6.73
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.34
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544487
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
1-[2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-nitrophenyl)methoxy]methanimine
CID 4527288
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(4-chlorophenyl)-[2-(4-methoxyphenyl)cyclopropyl]methanone
CID 14939961
N-[(4-chlorophenyl)methoxy]-1-(2-phenylcyclopropyl)-1-pyridin-2-ylmethanimine
CID 3565789
[(E)-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]-(4-methoxyphenyl)methylidene]amino] 2,4-difluorobenzoate
CID 40856984
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 3789844
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[[2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 3787911
(NE)-N-[[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-phenylmethylidene]hydroxylamine
CID 40542857
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine (CID 40856977) is (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C(=N/OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine?
The InChIKey is HYENONJVQALLET-ONEIKTMUSA-N. The full InChI is InChI=1S/C24H21Cl2NO2/c1-28-21-12-6-18(7-13-21)24(27-29-15-16-2-8-19(25)9-3-16)23-14-22(23)17-4-10-20(26)11-5-17/h2-13,22-23H,14-15H2,1H3/b27-24-/t22-,23+/m1/s1.
What are the key properties of (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine?
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine has a molecular weight of 426.34 g/mol, XLogP of 6.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 40856977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).