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

C21H22N2O3 — CID 133169001

IUPAC1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
SMILESCOc1ccc(CN/N=C/c2c(OC)ccc3ccccc23)cc1OC
InChIInChI=1S/C21H22N2O3/c1-24-19-11-9-16-6-4-5-7-17(16)18(19)14-23-22-13-15-8-10-20(25-2)21(12-15)26-3/h4-12,14,22H,13H2,1-3H3/b23-14+
InChIKeyUTFUYMJEJBTRAQ-OEAKJJBVSA-N
MW350.42 g/mol
LogP3.99
Rot. Bonds7

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

1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine (PubChem CID 133169001) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
PubChem CID133169001
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
SMILESCOc1ccc(CN/N=C/c2c(OC)ccc3ccccc23)cc1OC
InChIInChI=1S/C21H22N2O3/c1-24-19-11-9-16-6-4-5-7-17(16)18(19)14-23-22-13-15-8-10-20(25-2)21(12-15)26-3/h4-12,14,22H,13H2,1-3H3/b23-14+
InChIKeyUTFUYMJEJBTRAQ-OEAKJJBVSA-N
XLogP3.99
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.99
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-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169004
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]methanamine
CID 92658541
N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 133169261
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
1-(3,4-dimethoxyphenyl)-N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]methanamine
CID 92658133
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propoxyphenyl)methylideneamino]methanamine
CID 92658395
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]methanamine
CID 92658351
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
ethyl 2-[3-[(Z)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 92658314
ethyl 2-[3-[(E)-[(3,4-dimethoxyphenyl)methylhydrazinylidene]methyl]-2-methylindol-1-yl]acetate
CID 133169000
1-(3,4-dimethoxyphenyl)-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]methanamine
CID 92658396
N-[(Z)-[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(3,4-dimethoxyphenyl)methanamine
CID 99945039

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine (CID 133169001) is 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine is COc1ccc(CN/N=C/c2c(OC)ccc3ccccc23)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine?
The InChIKey is UTFUYMJEJBTRAQ-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-24-19-11-9-16-6-4-5-7-17(16)18(19)14-23-22-13-15-8-10-20(25-2)21(12-15)26-3/h4-12,14,22H,13H2,1-3H3/b23-14+.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine?
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine has a molecular weight of 350.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine is sourced from PubChem (CID 133169001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).