N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline

C19H14Cl2N2O — CID 169383529

IUPACN-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O/c20-15-8-11-19(18(21)12-15)24-17-9-6-14(7-10-17)13-22-23-16-4-2-1-3-5-16/h1-13,23H
InChIKeyCPOVTROMQJGHGH-UHFFFAOYSA-N
MW357.24 g/mol
LogP6.23
Rot. Bonds5

About N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline

N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline (PubChem CID 169383529) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
PubChem CID169383529
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC NameN-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C19H14Cl2N2O/c20-15-8-11-19(18(21)12-15)24-17-9-6-14(7-10-17)13-22-23-16-4-2-1-3-5-16/h1-13,23H
InChIKeyCPOVTROMQJGHGH-UHFFFAOYSA-N
XLogP6.23
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.24
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(4-fluorophenoxy)phenyl]methylideneamino]aniline
CID 169381600
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
N-[[4-[(4-chloro-2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382016
N-[[4-(3,5-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840192
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825
N-[[4-(2,3-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840190
N-[(4-bromophenyl)methylideneamino]-4-(4-chlorophenoxy)aniline
CID 167431722
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]aniline
CID 110840189
4-chloro-N-[(Z)-(4-chlorophenyl)methylideneamino]aniline
CID 5463108
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110338414
N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline (CID 169383529) is N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline is Clc1ccc(Oc2ccc(C=NNc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline?
The InChIKey is CPOVTROMQJGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c20-15-8-11-19(18(21)12-15)24-17-9-6-14(7-10-17)13-22-23-16-4-2-1-3-5-16/h1-13,23H.
What are the key properties of N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline?
N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline has a molecular weight of 357.24 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dichlorophenoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 169383529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).