N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

C21H18ClNO — CID 126218396

IUPACN-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18ClNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+
InChIKeyPWZUTZKHOHWXAD-OEAKJJBVSA-N
MW335.83 g/mol
LogP5.98
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine

N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (PubChem CID 126218396) has the molecular formula C21H18ClNO and a molecular weight of 335.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
PubChem CID126218396
Molecular FormulaC21H18ClNO
Molecular Weight335.83 g/mol
Exact Mass335.11
IUPAC NameN-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
SMILESCc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18ClNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+
InChIKeyPWZUTZKHOHWXAD-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'}

Analyze N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)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-(3,4-dimethylphenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 126214778
N-(3-chloro-4-methylphenyl)-1-[3-[(4-nitrophenyl)methoxy]phenyl]methanimine
CID 126206312
N-(3-chloro-4-methylphenyl)-1-[3-[(2-fluorophenyl)methoxy]phenyl]methanimine
CID 126206500
N-(3,5-dichlorophenyl)-1-(3-phenylmethoxyphenyl)methanimine
CID 2197856
N-(3-chloro-4-methylphenyl)-1-(3-ethoxy-5-iodo-4-phenylmethoxyphenyl)methanimine
CID 126221635
4-[[3-[(2-methylphenyl)iminomethyl]phenoxy]methyl]benzoic acid
CID 126207463
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-phenylmethoxyphenyl)methanimine
CID 4511482
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
(3-phenylmethoxyphenyl)methylidenehydrazine
CID 23916805
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
N-(3-chloro-4-methylphenyl)-1-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methanimine
CID 126216784
1-(3-chloro-5-methoxy-4-phenylmethoxyphenyl)-N-(3,4-dimethylphenyl)methanimine
CID 126218007

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The IUPAC name of N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine (CID 126218396) is N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is Cc1ccc(/N=C/c2cccc(OCc3ccccc3)c2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
The InChIKey is PWZUTZKHOHWXAD-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H18ClNO/c1-16-10-11-19(13-21(16)22)23-14-18-8-5-9-20(12-18)24-15-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b23-14+.
What are the key properties of N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine?
N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)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 N-(3-chloro-4-methylphenyl)-1-(3-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 126218396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).