2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline

C26H25NO4 — CID 22716425

IUPAC2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline
SMILESCOc1cc2ccc(-c3cc(OCc4ccccc4)c(OC)cc3N)cc2cc1OC
InChIInChI=1S/C26H25NO4/c1-28-23-12-18-9-10-19(11-20(18)13-24(23)29-2)21-14-26(25(30-3)15-22(21)27)31-16-17-7-5-4-6-8-17/h4-15H,16,27H2,1-3H3
InChIKeyIVJKEYMZPAVKFY-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.69
Rot. Bonds7

About 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline

2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline (PubChem CID 22716425) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline.

Molecular Properties

Compound Name2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline
PubChem CID22716425
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline
SMILESCOc1cc2ccc(-c3cc(OCc4ccccc4)c(OC)cc3N)cc2cc1OC
InChIInChI=1S/C26H25NO4/c1-28-23-12-18-9-10-19(11-20(18)13-24(23)29-2)21-14-26(25(30-3)15-22(21)27)31-16-17-7-5-4-6-8-17/h4-15H,16,27H2,1-3H3
InChIKeyIVJKEYMZPAVKFY-UHFFFAOYSA-N
XLogP5.69
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethoxy-5-[(Z)-2-naphthalen-2-ylethenyl]aniline
CID 11174230
2,3-dimethoxy-5-[(E)-2-naphthalen-2-ylethenyl]aniline
CID 11301193
[4-(3-Amino-4,5-dimethoxyphenyl)-6,7-diethoxy-3-(hydroxymethyl)naphthalen-2-yl]methanol;hydrochloride
CID 45261098
(Z)-2-(4,5-Dimethoxy-2-nitro-phenyl)-3-naphthalen-1-yl-acrylonitrile
CID 1897695
m-Anisidine, 4-((5-o-tolylpentyl)oxy)-
CID 27234
m-Anisidine, 4-((5-(p-methoxyphenyl)pentyl)oxy)-
CID 27235
m-Anisidine, 4-((5-p-tolylpentyl)oxy)-
CID 203859
2-[(2S,3R)-4-(2-amino-4,5-dimethoxyphenyl)-2,3-dimethylbutyl]-4,5-dimethoxyaniline
CID 10916091
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)naphthalen-1-amine
CID 172434745
2,3-Bis(4-aminophenoxy)naphthalene
CID 18787554
Bis(4-aminophenoxy) naphthalene
CID 21253701
6-(2-Aminophenyl)-2,3-dimethoxynaphthalene
CID 22716427

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline?
The IUPAC name of 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline (CID 22716425) is 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline.
What is the SMILES notation for 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline?
The canonical SMILES for 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline is COc1cc2ccc(-c3cc(OCc4ccccc4)c(OC)cc3N)cc2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline?
The InChIKey is IVJKEYMZPAVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-28-23-12-18-9-10-19(11-20(18)13-24(23)29-2)21-14-26(25(30-3)15-22(21)27)31-16-17-7-5-4-6-8-17/h4-15H,16,27H2,1-3H3.
What are the key properties of 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline?
2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline has a molecular weight of 415.49 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxynaphthalen-2-yl)-5-methoxy-4-phenylmethoxyaniline is sourced from PubChem (CID 22716425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).