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

C21H18Cl2N2O — CID 110839693

IUPACN-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(COc2cccc(C=NNCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-20-10-9-18(12-21(20)23)15-26-19-8-4-7-17(11-19)14-25-24-13-16-5-2-1-3-6-16/h1-12,14,24H,13,15H2
InChIKeyPDHQOSYITRMSHT-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.70
Rot. Bonds7

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

N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (PubChem CID 110839693) has the molecular formula C21H18Cl2N2O and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
PubChem CID110839693
Molecular FormulaC21H18Cl2N2O
Molecular Weight385.29 g/mol
Exact Mass384.08
IUPAC NameN-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
SMILESClc1ccc(COc2cccc(C=NNCc3ccccc3)c2)cc1Cl
InChIInChI=1S/C21H18Cl2N2O/c22-20-10-9-18(12-21(20)23)15-26-19-8-4-7-17(11-19)14-25-24-13-16-5-2-1-3-6-16/h1-12,14,24H,13,15H2
InChIKeyPDHQOSYITRMSHT-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'}

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Related Compounds

N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine
CID 110839719
1-(2,6-dichlorophenyl)-N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]methanamine
CID 19060245
N-[(3-ethoxyphenyl)methylideneamino]-1-phenylmethanamine
CID 110839888
(NE)-N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 42233568
[(E)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340789
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-1-(2,6-dichlorophenyl)methanamine
CID 19060113
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]methanamine
CID 110337182
1-benzyl-3-[(E)-[3-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110340728
1-benzyl-3-[(E)-[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]thiourea
CID 110339669
2-[2-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
CID 168573297
1-benzyl-3-[(3-phenylmethoxyphenyl)methylideneamino]thiourea
CID 1348293
4-(4-chlorophenyl)-N-[(Z)-[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 126070329

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The IUPAC name of N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine (CID 110839693) is N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The canonical SMILES for N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is Clc1ccc(COc2cccc(C=NNCc3ccccc3)c2)cc1Cl.
What is the InChIKey of N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
The InChIKey is PDHQOSYITRMSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O/c22-20-10-9-18(12-21(20)23)15-26-19-8-4-7-17(11-19)14-25-24-13-16-5-2-1-3-6-16/h1-12,14,24H,13,15H2.
What are the key properties of N-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine?
N-[[3-[(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-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1-phenylmethanamine is sourced from PubChem (CID 110839693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).