N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline

C20H16Cl2N2O — CID 169382695

IUPACN-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1cccc(Cl)c1COc1ccccc1C=NNc1ccccc1
InChIInChI=1S/C20H16Cl2N2O/c21-18-10-6-11-19(22)17(18)14-25-20-12-5-4-7-15(20)13-23-24-16-8-2-1-3-9-16/h1-13,24H,14H2
InChIKeyFGVMCDLYZWVTED-UHFFFAOYSA-N
MW371.27 g/mol
LogP6.02
Rot. Bonds6

About N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline

N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline (PubChem CID 169382695) has the molecular formula C20H16Cl2N2O and a molecular weight of 371.27 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline.

Molecular Properties

Compound NameN-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
PubChem CID169382695
Molecular FormulaC20H16Cl2N2O
Molecular Weight371.27 g/mol
Exact Mass370.06
IUPAC NameN-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
SMILESClc1cccc(Cl)c1COc1ccccc1C=NNc1ccccc1
InChIInChI=1S/C20H16Cl2N2O/c21-18-10-6-11-19(22)17(18)14-25-20-12-5-4-7-15(20)13-23-24-16-8-2-1-3-9-16/h1-13,24H,14H2
InChIKeyFGVMCDLYZWVTED-UHFFFAOYSA-N
XLogP6.02
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 56.02
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-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 110337114
N-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluoroaniline
CID 110840868
N-[[2-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382696
3-chloro-N-[(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 78597661
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]aniline
CID 110338538
N-[[2-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382467
N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110339561
1-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]-3-prop-2-enylthiourea
CID 3502918
N-[[2-(2-phenylethoxy)phenyl]methylideneamino]aniline
CID 169382893
4-chloro-N-[(Z)-(2-ethoxyphenyl)methylideneamino]aniline
CID 7992354
3-bromo-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]aniline
CID 19655678
4-chloro-N-[[2-[(2-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 110840677

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline (CID 169382695) is N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline.
What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline is Clc1cccc(Cl)c1COc1ccccc1C=NNc1ccccc1.
What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline?
The InChIKey is FGVMCDLYZWVTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O/c21-18-10-6-11-19(22)17(18)14-25-20-12-5-4-7-15(20)13-23-24-16-8-2-1-3-9-16/h1-13,24H,14H2.
What are the key properties of N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline?
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline has a molecular weight of 371.27 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline is sourced from PubChem (CID 169382695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).