N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine

C21H18Cl2N2O — CID 110839719

IUPACN-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(COc2ccc(C=NNCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-20-11-8-18(12-21(20)23)15-26-19-9-6-17(7-10-19)14-25-24-13-16-4-2-1-3-5-16/h1-12,14,24H,13,15H2
InChIKeyIFAXZWJLFHSBLN-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.70
Rot. Bonds7

About N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine

N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (PubChem CID 110839719) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
PubChem CID110839719
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC NameN-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(COc2ccc(C=NNCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-20-11-8-18(12-21(20)23)15-26-19-9-6-17(7-10-19)14-25-24-13-16-4-2-1-3-5-16/h1-12,14,24H,13,15H2
InChIKeyIFAXZWJLFHSBLN-UHFFFAOYSA-N
XLogP5.70
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.70
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-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine 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

1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060245
N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839693
1-benzyl-3-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110339669
N-[(4-phenoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839836
N-[(E)-(4-chlorophenyl)methylideneamino]-1-phenylmethanamine
CID 134092995
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
3,5,6-trichloro-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-2-amine
CID 5207019
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245961
N-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839808
2-[(2-chlorophenyl)methoxy]-N-[(Z)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 19657392
N-[(E)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 96878825

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (CID 110839719) is N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is Clc1ccc(COc2ccc(C=NNCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The InChIKey is IFAXZWJLFHSBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-20-11-8-18(12-21(20)23)15-26-19-9-6-17(7-10-19)14-25-24-13-16-4-2-1-3-5-16/h1-12,14,24H,13,15H2.
What are the key properties of N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine has a molecular weight of 385.29 g/mol, XLogP of 5.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).