3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline

C24H21NO2 — CID 50942707

IUPAC3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline
SMILESCOc1cccc(-c2ccc3c(-c4cccc(N)c4)c(OC)ccc3c2)c1
InChIInChI=1S/C24H21NO2/c1-26-21-8-4-5-16(15-21)17-9-11-22-18(13-17)10-12-23(27-2)24(22)19-6-3-7-20(25)14-19/h3-15H,25H2,1-2H3
InChIKeyIVUUADWCBTWJQW-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.77
Rot. Bonds4

About 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline

3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline (PubChem CID 50942707) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline.

Molecular Properties

Compound Name3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline
PubChem CID50942707
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Name3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline
SMILESCOc1cccc(-c2ccc3c(-c4cccc(N)c4)c(OC)ccc3c2)c1
InChIInChI=1S/C24H21NO2/c1-26-21-8-4-5-16(15-21)17-9-11-22-18(13-17)10-12-23(27-2)24(22)19-6-3-7-20(25)14-19/h3-15H,25H2,1-2H3
InChIKeyIVUUADWCBTWJQW-UHFFFAOYSA-N
XLogP5.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline?
The IUPAC name of 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline (CID 50942707) is 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline.
What is the SMILES notation for 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline?
The canonical SMILES for 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline is COc1cccc(-c2ccc3c(-c4cccc(N)c4)c(OC)ccc3c2)c1.
What is the InChIKey of 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline?
The InChIKey is IVUUADWCBTWJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-26-21-8-4-5-16(15-21)17-9-11-22-18(13-17)10-12-23(27-2)24(22)19-6-3-7-20(25)14-19/h3-15H,25H2,1-2H3.
What are the key properties of 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline?
3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline has a molecular weight of 355.44 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-6-(3-methoxyphenyl)naphthalen-1-yl]aniline is sourced from PubChem (CID 50942707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).