1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine

C20H20N2O — CID 17245823

IUPAC1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2O/c1-15(18-12-7-10-16-8-3-5-11-19(16)18)22-21-14-17-9-4-6-13-20(17)23-2/h3-13,21H,14H2,1-2H3/b22-15+
InChIKeyAOESJEHPPLADSH-PXLXIMEGSA-N
MW304.39 g/mol
LogP4.36
Rot. Bonds5

About 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine

1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine (PubChem CID 17245823) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
PubChem CID17245823
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
SMILESCOc1ccccc1CN/N=C(\C)c1cccc2ccccc12
InChIInChI=1S/C20H20N2O/c1-15(18-12-7-10-16-8-3-5-11-19(16)18)22-21-14-17-9-4-6-13-20(17)23-2/h3-13,21H,14H2,1-2H3/b22-15+
InChIKeyAOESJEHPPLADSH-PXLXIMEGSA-N
XLogP4.36
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.36
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

1-(3,4-dimethoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine
CID 133169027
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245826
N-[(2,3-dimethoxyphenyl)methyl]naphthalene-1-carboxamide
CID 46590604
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
N-(2,5-dimethoxyphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661204
N-[(E)-(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245849
methanol;1-methoxynaphthalene;neptunium
CID 157299455
N-[(Z)-1-naphthalen-1-ylethylideneamino]-2,2-diphenylacetamide
CID 126396854
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-hydroxy-4-methoxy-N-[(Z)-1-naphthalen-1-ylethylideneamino]benzamide
CID 126397741
N-(2-ethylphenyl)-N'-[(E)-1-naphthalen-1-ylethylideneamino]oxamide
CID 19661535
N-[(E)-[3,5-dibromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-1-(2-methoxyphenyl)methanamine
CID 17245610

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine?
The IUPAC name of 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine (CID 17245823) is 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine.
What is the SMILES notation for 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine?
The canonical SMILES for 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine is COc1ccccc1CN/N=C(\C)c1cccc2ccccc12.
What is the InChIKey of 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine?
The InChIKey is AOESJEHPPLADSH-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H20N2O/c1-15(18-12-7-10-16-8-3-5-11-19(16)18)22-21-14-17-9-4-6-13-20(17)23-2/h3-13,21H,14H2,1-2H3/b22-15+.
What are the key properties of 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine?
1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine has a molecular weight of 304.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-N-[(E)-1-naphthalen-1-ylethylideneamino]methanamine is sourced from PubChem (CID 17245823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).