N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

C21H23Cl2NO — CID 3783497

IUPACN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESCC(=NOCc1c(Cl)cccc1Cl)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23Cl2NO/c1-13(2)15-7-9-16(10-8-15)18-11-17(18)14(3)24-25-12-19-20(22)5-4-6-21(19)23/h4-10,13,17-18H,11-12H2,1-3H3
InChIKeyAWHIOBRWISNHCM-UHFFFAOYSA-N
MW376.33 g/mol
LogP6.81
Rot. Bonds6

About N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine

N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (PubChem CID 3783497) has the molecular formula C21H23Cl2NO and a molecular weight of 376.33 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
PubChem CID3783497
Molecular FormulaC21H23Cl2NO
Molecular Weight376.33 g/mol
Exact Mass375.12
IUPAC NameN-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
SMILESCC(=NOCc1c(Cl)cccc1Cl)C1CC1c1ccc(C(C)C)cc1
InChIInChI=1S/C21H23Cl2NO/c1-13(2)15-7-9-16(10-8-15)18-11-17(18)14(3)24-25-12-19-20(22)5-4-6-21(19)23/h4-10,13,17-18H,11-12H2,1-3H3
InChIKeyAWHIOBRWISNHCM-UHFFFAOYSA-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'}

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Related Compounds

(Z)-N-[(2,6-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6558279
N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 3789844
(Z)-N-[(2,4-dichlorophenyl)methoxy]-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 7094409
(Z)-N-[(2-fluorophenyl)methoxy]-1-[(1S,2R)-2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine
CID 6987392
1-[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]-N-(2-phenoxyethoxy)ethanimine
CID 7097778
N-[1-[2-(4-chlorophenyl)cyclopropyl]ethylidene]hydroxylamine
CID 2765708
(Z)-N-methoxy-1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]ethanimine
CID 6346543
1-[4-[(2,6-dichlorophenyl)methoxy]phenyl]ethanol
CID 43503639
(2Z)-2-methoxyimino-2-[2-[[(E)-1-[2-(4-methoxyphenyl)cyclopropyl]ethylideneamino]oxymethyl]phenyl]acetamide
CID 18786682
(E)-N-[(2,6-dichlorophenyl)methoxy]-1-(3-ethylphenyl)ethanimine
CID 22968924
N-[2-(methylamino)ethyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 119500317
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119572585

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The IUPAC name of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine (CID 3783497) is N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is CC(=NOCc1c(Cl)cccc1Cl)C1CC1c1ccc(C(C)C)cc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
The InChIKey is AWHIOBRWISNHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO/c1-13(2)15-7-9-16(10-8-15)18-11-17(18)14(3)24-25-12-19-20(22)5-4-6-21(19)23/h4-10,13,17-18H,11-12H2,1-3H3.
What are the key properties of N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine?
N-[(2,6-dichlorophenyl)methoxy]-1-[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 N-[(2,6-dichlorophenyl)methoxy]-1-[2-(4-propan-2-ylphenyl)cyclopropyl]ethanimine is sourced from PubChem (CID 3783497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).