1-methoxyanthracen-9-amine

C15H13NO — CID 23131408

IUPAC1-methoxyanthracen-9-amine
SMILESCOc1cccc2cc3ccccc3c(N)c12
InChIInChI=1S/C15H13NO/c1-17-13-8-4-6-11-9-10-5-2-3-7-12(10)15(16)14(11)13/h2-9H,16H2,1H3
InChIKeyOHWKMMNVEQUJOB-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.58
Rot. Bonds1

About 1-methoxyanthracen-9-amine

1-methoxyanthracen-9-amine (PubChem CID 23131408) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methoxyanthracen-9-amine.

Molecular Properties

Compound Name1-methoxyanthracen-9-amine
PubChem CID23131408
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name1-methoxyanthracen-9-amine
SMILESCOc1cccc2cc3ccccc3c(N)c12
InChIInChI=1S/C15H13NO/c1-17-13-8-4-6-11-9-10-5-2-3-7-12(10)15(16)14(11)13/h2-9H,16H2,1H3
InChIKeyOHWKMMNVEQUJOB-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxyanthracen-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,8-tetramethoxynaphthalene
CID 91328449
4-methoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 102346383
1,8-dimethoxynaphthalen-2-amine
CID 115022882
3-(2-methoxy-6-methylphenyl)-1,2-dimethylnaphthalene
CID 102027200
4-methoxy-10-phenylselanylphenanthrene
CID 71605623
8-methoxy-1-methyl-3-phenylisoquinolin-4-amine
CID 122424753
methanol;1-methoxynaphthalene;neptunium
CID 157299455
2,6-dimethoxyaniline;ethane
CID 145233133
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
9-methylanthracen-1-amine
CID 23131270
5-methoxybenzo[c]phenanthrene
CID 621003
2-bromo-7-methoxy-1-benzothiophen-3-amine
CID 130798724

Frequently Asked Questions

What is the IUPAC name of 1-methoxyanthracen-9-amine?
The IUPAC name of 1-methoxyanthracen-9-amine (CID 23131408) is 1-methoxyanthracen-9-amine.
What is the SMILES notation for 1-methoxyanthracen-9-amine?
The canonical SMILES for 1-methoxyanthracen-9-amine is COc1cccc2cc3ccccc3c(N)c12.
What is the InChIKey of 1-methoxyanthracen-9-amine?
The InChIKey is OHWKMMNVEQUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-17-13-8-4-6-11-9-10-5-2-3-7-12(10)15(16)14(11)13/h2-9H,16H2,1H3.
What are the key properties of 1-methoxyanthracen-9-amine?
1-methoxyanthracen-9-amine has a molecular weight of 223.28 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyanthracen-9-amine is sourced from PubChem (CID 23131408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).