1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

C22H19ClFNO — CID 126214961

IUPAC1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C
InChIInChI=1S/C22H19ClFNO/c1-15-3-9-20(11-16(15)2)25-13-18-6-10-22(21(23)12-18)26-14-17-4-7-19(24)8-5-17/h3-13H,14H2,1-2H3/b25-13+
InChIKeyDBIFCHVRONLIQT-DHRITJCHSA-N
MW367.85 g/mol
LogP6.43
Rot. Bonds5

About 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine

1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (PubChem CID 126214961) has the molecular formula C22H19ClFNO and a molecular weight of 367.85 g/mol. Its IUPAC name is 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
PubChem CID126214961
Molecular FormulaC22H19ClFNO
Molecular Weight367.85 g/mol
Exact Mass367.11
IUPAC Name1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
SMILESCc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C
InChIInChI=1S/C22H19ClFNO/c1-15-3-9-20(11-16(15)2)25-13-18-6-10-22(21(23)12-18)26-14-17-4-7-19(24)8-5-17/h3-13H,14H2,1-2H3/b25-13+
InChIKeyDBIFCHVRONLIQT-DHRITJCHSA-N
XLogP6.43
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.85
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007
2-[2-chloro-4-[(3,4-dimethylphenyl)iminomethyl]phenoxy]-N-(2-fluorophenyl)acetamide
CID 126386697
4-[[2-chloro-4-[(5-chloro-2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126218388
N-(4-ethoxyphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 4736660
1-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-N-(3-chloro-4-methylphenyl)methanimine
CID 126217459
1-[4-[(4-bromophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217206
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530246
1-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-N-(4-phenoxyphenyl)methanimine
CID 126217330
3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 900841
N-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine (CID 126214961) is 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is Cc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1C.
What is the InChIKey of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
The InChIKey is DBIFCHVRONLIQT-DHRITJCHSA-N. The full InChI is InChI=1S/C22H19ClFNO/c1-15-3-9-20(11-16(15)2)25-13-18-6-10-22(21(23)12-18)26-14-17-4-7-19(24)8-5-17/h3-13H,14H2,1-2H3/b25-13+.
What are the key properties of 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine?
1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine has a molecular weight of 367.85 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine is sourced from PubChem (CID 126214961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).