1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

C21H18ClNO — CID 126209712

IUPAC1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClNO/c1-16-7-2-5-12-21(16)23-14-17-8-6-10-19(13-17)24-15-18-9-3-4-11-20(18)22/h2-14H,15H2,1H3/b23-14+
InChIKeyYGJULLVNEBDGGO-OEAKJJBVSA-N
MW335.83 g/mol
LogP5.98
Rot. Bonds5

About 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine

1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (PubChem CID 126209712) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
PubChem CID126209712
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
SMILESCc1ccccc1/N=C/c1cccc(OCc2ccccc2Cl)c1
InChIInChI=1S/C21H18ClNO/c1-16-7-2-5-12-21(16)23-14-17-8-6-10-19(13-17)24-15-18-9-3-4-11-20(18)22/h2-14H,15H2,1H3/b23-14+
InChIKeyYGJULLVNEBDGGO-OEAKJJBVSA-N
XLogP5.98
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.83
LogP ≤ 55.98
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-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126226443
1-(3-ethoxyphenyl)-N-(2-methylphenyl)methanimine
CID 126208870
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
N-(5-chloro-2-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126219727
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
N-(5-chloro-2-methylphenyl)-1-[4-[(2-chlorophenyl)methoxy]phenyl]methanimine
CID 126206758
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126207463
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164243
N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126218396
N-(3-chloro-2-methylphenyl)-1-[3-[(3-fluorophenyl)methoxy]phenyl]methanimine
CID 126219221

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine (CID 126209712) is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is Cc1ccccc1/N=C/c1cccc(OCc2ccccc2Cl)c1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
The InChIKey is YGJULLVNEBDGGO-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-16-7-2-5-12-21(16)23-14-17-8-6-10-19(13-17)24-15-18-9-3-4-11-20(18)22/h2-14H,15H2,1H3/b23-14+.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine?
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine has a molecular weight of 335.83 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine is sourced from PubChem (CID 126209712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).