anthracen-9-ylmethanamine

C15H13N — CID 11085034

IUPACanthracen-9-ylmethanamine
SMILESNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H13N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10,16H2
InChIKeyMEQDVTFZLJSMPO-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.45
Rot. Bonds1

About anthracen-9-ylmethanamine

anthracen-9-ylmethanamine (PubChem CID 11085034) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is anthracen-9-ylmethanamine.

Molecular Properties

Compound Nameanthracen-9-ylmethanamine
PubChem CID11085034
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Nameanthracen-9-ylmethanamine
SMILESNCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C15H13N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10,16H2
InChIKeyMEQDVTFZLJSMPO-UHFFFAOYSA-N
XLogP3.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of anthracen-9-ylmethanamine?
The IUPAC name of anthracen-9-ylmethanamine (CID 11085034) is anthracen-9-ylmethanamine.
What is the SMILES notation for anthracen-9-ylmethanamine?
The canonical SMILES for anthracen-9-ylmethanamine is NCc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-ylmethanamine?
The InChIKey is MEQDVTFZLJSMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c16-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9H,10,16H2.
What are the key properties of anthracen-9-ylmethanamine?
anthracen-9-ylmethanamine has a molecular weight of 207.28 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-ylmethanamine is sourced from PubChem (CID 11085034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).