N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine

C14H11Cl2NO — CID 958548

IUPACN-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-9H,1H3/b17-9+
InChIKeyFDCDCOWIYBPVKZ-RQZCQDPDSA-N
MW280.15 g/mol
LogP4.75
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine

N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine (PubChem CID 958548) has the molecular formula C14H11Cl2NO and a molecular weight of 280.15 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
PubChem CID958548
Molecular FormulaC14H11Cl2NO
Molecular Weight280.15 g/mol
Exact Mass279.02
IUPAC NameN-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C14H11Cl2NO/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-9H,1H3/b17-9+
InChIKeyFDCDCOWIYBPVKZ-RQZCQDPDSA-N
XLogP4.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.15
LogP ≤ 54.75
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-(4-methoxyphenyl)-N-[3-[(4-methoxyphenyl)methylideneamino]phenyl]methanimine
CID 18527961
1-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanimine
CID 4193648
3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
N-(3-fluoro-4-methylphenyl)-1-(4-methoxyphenyl)methanimine
CID 693625
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
4-[(3,4-dichlorophenyl)iminomethyl]benzene-1,2-diol
CID 681130
4-[(4-methoxyphenyl)methylideneamino]-N,N-dimethylaniline
CID 3748752
1-(4-fluorophenyl)-N-[4-(4-methoxyphenyl)phenyl]methanimine
CID 821942
N-(3,4-dichlorophenyl)-1-[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methanimine
CID 139218679
N-(4-bromo-3-chlorophenyl)-1-[4-[(4-bromo-3-chlorophenyl)iminomethyl]phenyl]methanimine
CID 21239979
2-[4-[(3,4-dichlorophenyl)iminomethyl]-2-methoxyphenoxy]acetamide
CID 1018512
1-(4-methoxyphenyl)-N-[2-[(4-methoxyphenyl)methylideneamino]-6,12-diphenylbenzo[c][1,5]benzodiazocin-8-yl]methanimine
CID 3076113

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine (CID 958548) is N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine?
The InChIKey is FDCDCOWIYBPVKZ-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2NO/c1-18-12-5-2-10(3-6-12)9-17-11-4-7-13(15)14(16)8-11/h2-9H,1H3/b17-9+.
What are the key properties of N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine?
N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine has a molecular weight of 280.15 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 958548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).