1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine

C18H19Cl2NO2 — CID 126386568

IUPAC1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
SMILESCC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO2/c1-4-12(2)23-18-15(20)9-13(10-17(18)22-3)11-21-16-8-6-5-7-14(16)19/h5-12H,4H2,1-3H3/b21-11+/t12-/m0/s1
InChIKeyJPBCYOBRUDCBTL-OVMKCGGTSA-N
MW352.26 g/mol
LogP5.93
Rot. Bonds6

About 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine

1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine (PubChem CID 126386568) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine.

Molecular Properties

Compound Name1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
PubChem CID126386568
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC Name1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine
SMILESCC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO2/c1-4-12(2)23-18-15(20)9-13(10-17(18)22-3)11-21-16-8-6-5-7-14(16)19/h5-12H,4H2,1-3H3/b21-11+/t12-/m0/s1
InChIKeyJPBCYOBRUDCBTL-OVMKCGGTSA-N
XLogP5.93
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2,4-dichlorophenyl)methanimine
CID 126389107
1-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(3-chlorophenyl)methanimine
CID 126391506
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(4-methylphenyl)methanimine
CID 126380326
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-2-chlorobenzamide
CID 126384401
N-[4-[[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]phenyl]acetamide
CID 126393613
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(4-methyl-3-nitrophenyl)methanimine
CID 126382076
benzyl N'-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]carbamimidothioate
CID 168612403
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-1,1,2,2,3,3,3-heptafluoropropan-1-amine
CID 126036197
N-[(Z)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-4-chlorobenzamide
CID 126196928
N-[(Z)-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 126381668
N-[(E)-[4-[(2R)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]methylideneamino]-3-hydroxybenzamide
CID 126380002
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 3597843

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine?
The IUPAC name of 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine (CID 126386568) is 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine.
What is the SMILES notation for 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine?
The canonical SMILES for 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine is CC[C@H](C)Oc1c(Cl)cc(/C=N/c2ccccc2Cl)cc1OC.
What is the InChIKey of 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine?
The InChIKey is JPBCYOBRUDCBTL-OVMKCGGTSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-4-12(2)23-18-15(20)9-13(10-17(18)22-3)11-21-16-8-6-5-7-14(16)19/h5-12H,4H2,1-3H3/b21-11+/t12-/m0/s1.
What are the key properties of 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine?
1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine has a molecular weight of 352.26 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S)-butan-2-yl]oxy-3-chloro-5-methoxyphenyl]-N-(2-chlorophenyl)methanimine is sourced from PubChem (CID 126386568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).