N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine

C21H17Cl3N2O — CID 19060113

IUPACN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESClc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H17Cl3N2O/c22-19-8-2-1-6-16(19)14-27-17-7-3-5-15(11-17)12-25-26-13-18-20(23)9-4-10-21(18)24/h1-12,26H,13-14H2/b25-12+
InChIKeyQKUFEBMHRJXKHM-BRJLIKDPSA-N
MW419.74 g/mol
LogP6.35
Rot. Bonds7

About N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine

N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine (PubChem CID 19060113) has the molecular formula C21H17Cl3N2O and a molecular weight of 419.74 g/mol. Its IUPAC name is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
PubChem CID19060113
Molecular FormulaC21H17Cl3N2O
Molecular Weight419.74 g/mol
Exact Mass418.04
IUPAC NameN-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
SMILESClc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H17Cl3N2O/c22-19-8-2-1-6-16(19)14-27-17-7-3-5-15(11-17)12-25-26-13-18-20(23)9-4-10-21(18)24/h1-12,26H,13-14H2/b25-12+
InChIKeyQKUFEBMHRJXKHM-BRJLIKDPSA-N
XLogP6.35
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.74
LogP ≤ 56.35
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'}

Analyze N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine 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-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 110340663
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 20987989
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methylthiourea
CID 4164243
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
1-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-phenylthiourea
CID 3680304
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4-fluorobenzenesulfonamide
CID 27525499
4-amino-N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 9034423
2-amino-N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 21370994
1-[3-[(2-chlorophenyl)methoxy]phenyl]-N-(2-methylphenyl)methanimine
CID 126209712
N-[(Z)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 98050135
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29147439

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The IUPAC name of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine (CID 19060113) is N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine.
What is the SMILES notation for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The canonical SMILES for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine is Clc1ccccc1COc1cccc(/C=N/NCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
The InChIKey is QKUFEBMHRJXKHM-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H17Cl3N2O/c22-19-8-2-1-6-16(19)14-27-17-7-3-5-15(11-17)12-25-26-13-18-20(23)9-4-10-21(18)24/h1-12,26H,13-14H2/b25-12+.
What are the key properties of N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine?
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine has a molecular weight of 419.74 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine is sourced from PubChem (CID 19060113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).