9-methylanthracen-1-amine

C15H13N — CID 23131270

IUPAC9-methylanthracen-1-amine
SMILESCc1c2ccccc2cc2cccc(N)c12
InChIInChI=1S/C15H13N/c1-10-13-7-3-2-5-11(13)9-12-6-4-8-14(16)15(10)12/h2-9H,16H2,1H3
InChIKeyQXDWMAODKPOTKK-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.88
Rot. Bonds

About 9-methylanthracen-1-amine

9-methylanthracen-1-amine (PubChem CID 23131270) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 9-methylanthracen-1-amine.

Molecular Properties

Compound Name9-methylanthracen-1-amine
PubChem CID23131270
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name9-methylanthracen-1-amine
SMILESCc1c2ccccc2cc2cccc(N)c12
InChIInChI=1S/C15H13N/c1-10-13-7-3-2-5-11(13)9-12-6-4-8-14(16)15(10)12/h2-9H,16H2,1H3
InChIKeyQXDWMAODKPOTKK-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methylanthracen-1-amine?
The IUPAC name of 9-methylanthracen-1-amine (CID 23131270) is 9-methylanthracen-1-amine.
What is the SMILES notation for 9-methylanthracen-1-amine?
The canonical SMILES for 9-methylanthracen-1-amine is Cc1c2ccccc2cc2cccc(N)c12.
What is the InChIKey of 9-methylanthracen-1-amine?
The InChIKey is QXDWMAODKPOTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-10-13-7-3-2-5-11(13)9-12-6-4-8-14(16)15(10)12/h2-9H,16H2,1H3.
What are the key properties of 9-methylanthracen-1-amine?
9-methylanthracen-1-amine has a molecular weight of 207.28 g/mol, XLogP of 3.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methylanthracen-1-amine is sourced from PubChem (CID 23131270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).