2-acridin-9-yl-6-methoxyaniline

C20H16N2O — CID 150368327

IUPAC2-acridin-9-yl-6-methoxyaniline
SMILESCOc1cccc(-c2c3ccccc3nc3ccccc23)c1N
InChIInChI=1S/C20H16N2O/c1-23-18-12-6-9-15(20(18)21)19-13-7-2-4-10-16(13)22-17-11-5-3-8-14(17)19/h2-12H,21H2,1H3
InChIKeyGXEQOCJQSZUSKY-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.65
Rot. Bonds2

About 2-acridin-9-yl-6-methoxyaniline

2-acridin-9-yl-6-methoxyaniline (PubChem CID 150368327) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-acridin-9-yl-6-methoxyaniline.

Molecular Properties

Compound Name2-acridin-9-yl-6-methoxyaniline
PubChem CID150368327
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-acridin-9-yl-6-methoxyaniline
SMILESCOc1cccc(-c2c3ccccc3nc3ccccc23)c1N
InChIInChI=1S/C20H16N2O/c1-23-18-12-6-9-15(20(18)21)19-13-7-2-4-10-16(13)22-17-11-5-3-8-14(17)19/h2-12H,21H2,1H3
InChIKeyGXEQOCJQSZUSKY-UHFFFAOYSA-N
XLogP4.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-acridin-9-yl-3-methoxyaniline
CID 21106052
1-N-acridin-1-yl-3-methoxybenzene-1,2-diamine
CID 87747346
2,6-dimethoxyaniline;ethane
CID 145233133
3-methoxy-2-(2-phenylquinazolin-4-yl)aniline
CID 22397130
1-(2,3-dimethoxyphenyl)acridine-9-carboxylic acid
CID 23057240
acridin-9-amine;λ2-plumbane
CID 173496858
2-(2-methoxy-5-methylphenyl)quinolin-4-amine
CID 82091521
3-amino-2-(2-methoxyphenyl)quinazolin-4-one
CID 805125
2-methoxy-6-quinolin-5-yloxyaniline
CID 103043894
2-(5-methoxynaphthalen-1-yl)-1,3-benzothiazole
CID 142679253
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
CID 122424753
1-[2-(2-methoxyphenyl)phenyl]naphthalene
CID 175027379

Frequently Asked Questions

What is the IUPAC name of 2-acridin-9-yl-6-methoxyaniline?
The IUPAC name of 2-acridin-9-yl-6-methoxyaniline (CID 150368327) is 2-acridin-9-yl-6-methoxyaniline.
What is the SMILES notation for 2-acridin-9-yl-6-methoxyaniline?
The canonical SMILES for 2-acridin-9-yl-6-methoxyaniline is COc1cccc(-c2c3ccccc3nc3ccccc23)c1N.
What is the InChIKey of 2-acridin-9-yl-6-methoxyaniline?
The InChIKey is GXEQOCJQSZUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-18-12-6-9-15(20(18)21)19-13-7-2-4-10-16(13)22-17-11-5-3-8-14(17)19/h2-12H,21H2,1H3.
What are the key properties of 2-acridin-9-yl-6-methoxyaniline?
2-acridin-9-yl-6-methoxyaniline has a molecular weight of 300.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acridin-9-yl-6-methoxyaniline is sourced from PubChem (CID 150368327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).