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

C25H24ClNO2 — CID 40544487

IUPAC(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCOc1ccc(/C(=N/OCc2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-17-3-5-18(6-4-17)16-29-27-25(20-9-13-22(28-2)14-10-20)24-15-23(24)19-7-11-21(26)12-8-19/h3-14,23-24H,15-16H2,1-2H3/b27-25-/t23-,24+/m0/s1
InChIKeyZXOATCSQKGNJET-AMMHLPIMSA-N
MW405.93 g/mol
LogP6.38
Rot. Bonds7

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

(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine (PubChem CID 40544487) has the molecular formula C25H24ClNO2 and a molecular weight of 405.93 g/mol. Its IUPAC name is (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine.

Molecular Properties

Compound Name(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
PubChem CID40544487
Molecular FormulaC25H24ClNO2
Molecular Weight405.93 g/mol
Exact Mass405.15
IUPAC Name(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
SMILESCOc1ccc(/C(=N/OCc2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C25H24ClNO2/c1-17-3-5-18(6-4-17)16-29-27-25(20-9-13-22(28-2)14-10-20)24-15-23(24)19-7-11-21(26)12-8-19/h3-14,23-24H,15-16H2,1-2H3/b27-25-/t23-,24+/m0/s1
InChIKeyZXOATCSQKGNJET-AMMHLPIMSA-N
XLogP6.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.93
LogP ≤ 56.38
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'}

Analyze (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine with MolForge

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Related Compounds

(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine
CID 40544488
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(4-chlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856977
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
1-methoxy-4-[3-methyl-2-(4-methylphenyl)cyclobutyl]benzene
CID 132838745

Frequently Asked Questions

What is the IUPAC name of (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine?
The IUPAC name of (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine (CID 40544487) is (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine.
What is the SMILES notation for (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine?
The canonical SMILES for (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine is COc1ccc(/C(=N/OCc2ccc(C)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1.
What is the InChIKey of (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine?
The InChIKey is ZXOATCSQKGNJET-AMMHLPIMSA-N. The full InChI is InChI=1S/C25H24ClNO2/c1-17-3-5-18(6-4-17)16-29-27-25(20-9-13-22(28-2)14-10-20)24-15-23(24)19-7-11-21(26)12-8-19/h3-14,23-24H,15-16H2,1-2H3/b27-25-/t23-,24+/m0/s1.
What are the key properties of (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine?
(E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine has a molecular weight of 405.93 g/mol, XLogP of 6.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[(1R,2R)-2-(4-chlorophenyl)cyclopropyl]-1-(4-methoxyphenyl)-N-[(4-methylphenyl)methoxy]methanimine is sourced from PubChem (CID 40544487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).