N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

C27H24Cl2N2O3 — CID 133169261

IUPACN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1OC
InChIInChI=1S/C27H24Cl2N2O3/c1-32-26-11-8-18(14-27(26)33-2)15-30-31-16-22-21-6-4-3-5-20(21)9-12-25(22)34-17-19-7-10-23(28)24(29)13-19/h3-14,16,30H,15,17H2,1-2H3/b31-16+
InChIKeyWYIWQBSCPFWNHJ-WCMJOSRZSA-N
MW495.41 g/mol
LogP6.87
Rot. Bonds9

About N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine

N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (PubChem CID 133169261) has the molecular formula C27H24Cl2N2O3 and a molecular weight of 495.41 g/mol. Its IUPAC name is N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
PubChem CID133169261
Molecular FormulaC27H24Cl2N2O3
Molecular Weight495.41 g/mol
Exact Mass494.12
IUPAC NameN-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
SMILESCOc1ccc(CN/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1OC
InChIInChI=1S/C27H24Cl2N2O3/c1-32-26-11-8-18(14-27(26)33-2)15-30-31-16-22-21-6-4-3-5-20(21)9-12-25(22)34-17-19-7-10-23(28)24(29)13-19/h3-14,16,30H,15,17H2,1-2H3/b31-16+
InChIKeyWYIWQBSCPFWNHJ-WCMJOSRZSA-N
XLogP6.87
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.41
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169004
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 29148458
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245961
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133144098
1-(3,4-dimethoxyphenyl)-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]methanamine
CID 92658133
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110340184
N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17332699
3,4-dichloro-N-[[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840463
N-[(E)-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]methanamine
CID 110340188

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The IUPAC name of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine (CID 133169261) is N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine.
What is the SMILES notation for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The canonical SMILES for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is COc1ccc(CN/N=C/c2c(OCc3ccc(Cl)c(Cl)c3)ccc3ccccc23)cc1OC.
What is the InChIKey of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
The InChIKey is WYIWQBSCPFWNHJ-WCMJOSRZSA-N. The full InChI is InChI=1S/C27H24Cl2N2O3/c1-32-26-11-8-18(14-27(26)33-2)15-30-31-16-22-21-6-4-3-5-20(21)9-12-25(22)34-17-19-7-10-23(28)24(29)13-19/h3-14,16,30H,15,17H2,1-2H3/b31-16+.
What are the key properties of N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine?
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine has a molecular weight of 495.41 g/mol, XLogP of 6.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine is sourced from PubChem (CID 133169261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).