1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

C22H19ClFNO — CID 126206108

IUPAC1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C
InChIInChI=1S/C22H19ClFNO/c1-15-6-5-9-21(16(15)2)25-13-17-10-11-22(19(23)12-17)26-14-18-7-3-4-8-20(18)24/h3-13H,14H2,1-2H3/b25-13+
InChIKeyFJNZZORIFNSNOV-DHRITJCHSA-N
MW367.85 g/mol
LogP6.43
Rot. Bonds5

About 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine

1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (PubChem CID 126206108) has the molecular formula C22H19ClFNO and a molecular weight of 367.85 g/mol. Its IUPAC name is 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
PubChem CID126206108
Molecular FormulaC22H19ClFNO
Molecular Weight367.85 g/mol
Exact Mass367.11
IUPAC Name1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
SMILESCc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C
InChIInChI=1S/C22H19ClFNO/c1-15-6-5-9-21(16(15)2)25-13-17-10-11-22(19(23)12-17)26-14-18-7-3-4-8-20(18)24/h3-13H,14H2,1-2H3/b25-13+
InChIKeyFJNZZORIFNSNOV-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'}

Analyze 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-1-[2-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126221634
N-(3-chloro-2-methylphenyl)-1-[3-chloro-4-(naphthalen-1-ylmethoxy)phenyl]methanimine
CID 126217246
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126219727
1-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]-N-(3-chloro-2-methylphenyl)methanimine
CID 126219557
1-(3,5-dichloro-4-phenylmethoxyphenyl)-N-(2,3-dimethylphenyl)methanimine
CID 126209246
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
N-(2,3-dimethylphenyl)-1-(3-methoxy-4-phenylmethoxyphenyl)methanimine
CID 126218926
N-(2,3-dimethylphenyl)-1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 126207011
N-(3,4-dichlorophenyl)-1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 3388817
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
1-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-phenylmethanimine
CID 126222259
1-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126221758

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The IUPAC name of 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine (CID 126206108) is 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine.
What is the SMILES notation for 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The canonical SMILES for 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is Cc1cccc(/N=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1C.
What is the InChIKey of 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
The InChIKey is FJNZZORIFNSNOV-DHRITJCHSA-N. The full InChI is InChI=1S/C22H19ClFNO/c1-15-6-5-9-21(16(15)2)25-13-17-10-11-22(19(23)12-17)26-14-18-7-3-4-8-20(18)24/h3-13H,14H2,1-2H3/b25-13+.
What are the key properties of 1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine?
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-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-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine is sourced from PubChem (CID 126206108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).