N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine

C21H17ClFNO — CID 126219727

IUPACN-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C21H17ClFNO/c1-15-9-10-18(22)12-21(15)24-13-16-5-4-7-19(11-16)25-14-17-6-2-3-8-20(17)23/h2-13H,14H2,1H3/b24-13+
InChIKeyUQPHXJXJNIKGMS-ZMOGYAJESA-N
MW353.82 g/mol
LogP6.12
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine

N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine (PubChem CID 126219727) has the molecular formula C21H17ClFNO and a molecular weight of 353.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
PubChem CID126219727
Molecular FormulaC21H17ClFNO
Molecular Weight353.82 g/mol
Exact Mass353.10
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
SMILESCc1ccc(Cl)cc1/N=C/c1cccc(OCc2ccccc2F)c1
InChIInChI=1S/C21H17ClFNO/c1-15-9-10-18(22)12-21(15)24-13-16-5-4-7-19(11-16)25-14-17-6-2-3-8-20(17)23/h2-13H,14H2,1H3/b24-13+
InChIKeyUQPHXJXJNIKGMS-ZMOGYAJESA-N
XLogP6.12
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.82
LogP ≤ 56.12
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

N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
3-[(5-chloro-2-methylphenyl)iminomethyl]phenol
CID 126216051
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
1-[3-chloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(2,3-dimethylphenyl)methanimine
CID 126206108
N-(3-chloro-4-methylphenyl)-N'-[[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5166548
4-chloro-N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126195239
1-[3,5-dichloro-4-[(2-fluorophenyl)methoxy]phenyl]-N-(3,4-dimethylphenyl)methanimine
CID 126217862
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine (CID 126219727) is N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine is Cc1ccc(Cl)cc1/N=C/c1cccc(OCc2ccccc2F)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine?
The InChIKey is UQPHXJXJNIKGMS-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H17ClFNO/c1-15-9-10-18(22)12-21(15)24-13-16-5-4-7-19(11-16)25-14-17-6-2-3-8-20(17)23/h2-13H,14H2,1H3/b24-13+.
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine?
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine has a molecular weight of 353.82 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine is sourced from PubChem (CID 126219727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).