N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline

C19H18N2O2 — CID 126015225

IUPACN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
SMILESCOc1ccc2ccc(OC)c(/C=N/Nc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O2/c1-22-16-10-8-14-9-11-19(23-2)18(17(14)12-16)13-20-21-15-6-4-3-5-7-15/h3-13,21H,1-2H3/b20-13+
InChIKeyZAFBKMBWDCSSBI-DEDYPNTBSA-N
MW306.37 g/mol
LogP4.30
Rot. Bonds5

About N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline

N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline (PubChem CID 126015225) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
PubChem CID126015225
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline
SMILESCOc1ccc2ccc(OC)c(/C=N/Nc3ccccc3)c2c1
InChIInChI=1S/C19H18N2O2/c1-22-16-10-8-14-9-11-19(23-2)18(17(14)12-16)13-20-21-15-6-4-3-5-7-15/h3-13,21H,1-2H3/b20-13+
InChIKeyZAFBKMBWDCSSBI-DEDYPNTBSA-N
XLogP4.30
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
N-[(2,4,6-trimethoxyphenyl)methylideneamino]aniline
CID 169381531
2-[(2E)-2-[(2,7-dimethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3H-quinazolin-4-one
CID 135697091
1-[(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-3-ethylthiourea
CID 5197013
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]-4-methoxybenzamide
CID 126012683
3,5-dimethoxy-2-[(phenylhydrazinylidene)methyl]phenol
CID 4137951
N-[(3-bromo-2-chloro-6-methoxyphenyl)methylideneamino]aniline
CID 169384145
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 7275569
N-[(2,6-dichloro-3,4-dimethoxyphenyl)methylideneamino]aniline
CID 169383624
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-methylaniline
CID 9014704
N-[(2,3,4-trimethoxyphenyl)methylideneamino]aniline
CID 5062184
1-(3,4-dimethoxyphenyl)-N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]methanamine
CID 133169001

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline?
The IUPAC name of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline (CID 126015225) is N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline.
What is the SMILES notation for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline?
The canonical SMILES for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline is COc1ccc2ccc(OC)c(/C=N/Nc3ccccc3)c2c1.
What is the InChIKey of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline?
The InChIKey is ZAFBKMBWDCSSBI-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-16-10-8-14-9-11-19(23-2)18(17(14)12-16)13-20-21-15-6-4-3-5-7-15/h3-13,21H,1-2H3/b20-13+.
What are the key properties of N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline?
N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline has a molecular weight of 306.37 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,7-dimethoxynaphthalen-1-yl)methylideneamino]aniline is sourced from PubChem (CID 126015225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).