(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

C21H23Cl2NO — CID 7094409

IUPAC(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESC/C(=N/OCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23Cl2NO/c1-13(2)15-4-6-16(7-5-15)20-11-19(20)14(3)24-25-12-17-8-9-18(22)10-21(17)23/h4-10,13,19-20H,11-12H2,1-3H3/b24-14-/t19-,20-/m0/s1
InChIKeyNKJQOSOOQQJMDY-UWLAKRBBSA-N
MW376.33 g/mol
LogP6.81
Rot. Bonds6

About (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (PubChem CID 7094409) has the molecular formula C21H23Cl2NO and a molecular weight of 376.33 g/mol. Its IUPAC name is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
PubChem CID7094409
Molecular FormulaC21H23Cl2NO
Molecular Weight376.33 g/mol
Exact Mass375.12
IUPAC Name(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESC/C(=N/OCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23Cl2NO/c1-13(2)15-4-6-16(7-5-15)20-11-19(20)14(3)24-25-12-17-8-9-18(22)10-21(17)23/h4-10,13,19-20H,11-12H2,1-3H3/b24-14-/t19-,20-/m0/s1
InChIKeyNKJQOSOOQQJMDY-UWLAKRBBSA-N
XLogP6.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.33
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine with MolForge

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Related Compounds

(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 6987392
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 3783497
(E)-1-[(1S,2S)-2-(4-chlorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-methoxyphenyl)methanimine
CID 40856970
(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[1-[2-(4-chlorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 2765708
(2Z)-2-[(2,4-dichlorophenyl)methoxyimino]-3-oxobutanoic acid
CID 88719702
2-(2,4-dichlorophenyl)-1-(2-phenylcyclopropyl)ethanone
CID 116516992
1-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-N-[(2,4-dichlorophenyl)methoxy]-1-(4-fluorophenyl)methanimine
CID 3802403
cis-(2,4-dichlorophenyl)methyl (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 2376302
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
1-[(2,4-dichlorophenyl)methoxy]propan-2-amine
CID 82475739
1-(2,4-dichlorophenyl)-N-ethoxypropan-2-imine
CID 76787512

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The IUPAC name of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (CID 7094409) is (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.
What is the SMILES notation for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The canonical SMILES for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is C/C(=N/OCc1ccc(Cl)cc1Cl)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1.
What is the InChIKey of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The InChIKey is NKJQOSOOQQJMDY-UWLAKRBBSA-N. The full InChI is InChI=1S/C21H23Cl2NO/c1-13(2)15-4-6-16(7-5-15)20-11-19(20)14(3)24-25-12-17-8-9-18(22)10-21(17)23/h4-10,13,19-20H,11-12H2,1-3H3/b24-14-/t19-,20-/m0/s1.
What are the key properties of (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine has a molecular weight of 376.33 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 7094409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).