N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline

C26H21ClN2O — CID 4109737

IUPACN-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(Oc2cccc(C=NN(Cc3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H21ClN2O/c27-23-14-16-25(17-15-23)30-26-13-7-10-22(18-26)19-28-29(24-11-5-2-6-12-24)20-21-8-3-1-4-9-21/h1-19H,20H2
InChIKeyLATWSVIBWZGINB-UHFFFAOYSA-N
MW412.92 g/mol
LogP7.17
Rot. Bonds7

About N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline

N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline (PubChem CID 4109737) has the molecular formula C26H21ClN2O and a molecular weight of 412.92 g/mol. Its IUPAC name is N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
PubChem CID4109737
Molecular FormulaC26H21ClN2O
Molecular Weight412.92 g/mol
Exact Mass412.13
IUPAC NameN-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline
SMILESClc1ccc(Oc2cccc(C=NN(Cc3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C26H21ClN2O/c27-23-14-16-25(17-15-23)30-26-13-7-10-22(18-26)19-28-29(24-11-5-2-6-12-24)20-21-8-3-1-4-9-21/h1-19H,20H2
InChIKeyLATWSVIBWZGINB-UHFFFAOYSA-N
XLogP7.17
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.92
LogP ≤ 57.17
H-Bond Donors ≤ 50
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-benzyl-N-[(4-butoxyphenyl)methylideneamino]aniline
CID 4188991
N-benzyl-N-[(E)-benzylideneamino]-3,5-dimethylaniline
CID 53376390
N-benzyl-4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]benzamide
CID 3890451
N-benzyl-N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]aniline
CID 6047667
[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]urea
CID 9017296
(E)-1-[3-(4-chlorophenoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 42991028
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8882819
1-(3-phenoxyphenyl)-N-[1-(2,4,6-trichlorophenyl)ethyl]methanimine
CID 22482993
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
methyl 4-[[4-[[benzyl(phenyl)hydrazinylidene]methyl]phenoxy]methyl]benzoate
CID 5053665
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline?
The IUPAC name of N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline (CID 4109737) is N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline.
What is the SMILES notation for N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline?
The canonical SMILES for N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline is Clc1ccc(Oc2cccc(C=NN(Cc3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline?
The InChIKey is LATWSVIBWZGINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O/c27-23-14-16-25(17-15-23)30-26-13-7-10-22(18-26)19-28-29(24-11-5-2-6-12-24)20-21-8-3-1-4-9-21/h1-19H,20H2.
What are the key properties of N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline?
N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline has a molecular weight of 412.92 g/mol, XLogP of 7.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[3-(4-chlorophenoxy)phenyl]methylideneamino]aniline is sourced from PubChem (CID 4109737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).