anthracen-9-amine

C14H11N — CID 13069

IUPACanthracen-9-amine
SMILESNc1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H11N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,15H2
InChIKeyLHNICELDCMPPDE-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.58
Rot. Bonds

About anthracen-9-amine

anthracen-9-amine (PubChem CID 13069) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is anthracen-9-amine.

Molecular Properties

Compound Nameanthracen-9-amine
PubChem CID13069
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Nameanthracen-9-amine
SMILESNc1c2ccccc2cc2ccccc12
InChIInChI=1S/C14H11N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,15H2
InChIKeyLHNICELDCMPPDE-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 53.58
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 anthracen-9-amine?
The IUPAC name of anthracen-9-amine (CID 13069) is anthracen-9-amine.
What is the SMILES notation for anthracen-9-amine?
The canonical SMILES for anthracen-9-amine is Nc1c2ccccc2cc2ccccc12.
What is the InChIKey of anthracen-9-amine?
The InChIKey is LHNICELDCMPPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H,15H2.
What are the key properties of anthracen-9-amine?
anthracen-9-amine has a molecular weight of 193.25 g/mol, XLogP of 3.58, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-amine is sourced from PubChem (CID 13069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).