anthracen-1-amine

C14H11N — CID 11885

IUPACanthracen-1-amine
SMILESNc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
InChIKeyYUENFNPLGJCNRB-UHFFFAOYSA-N
MW193.25 g/mol
LogP3.58
Rot. Bonds

About anthracen-1-amine

anthracen-1-amine (PubChem CID 11885) has the molecular formula C14H11N and a molecular weight of 193.25 g/mol. Its IUPAC name is anthracen-1-amine.

Molecular Properties

Compound Nameanthracen-1-amine
PubChem CID11885
Molecular FormulaC14H11N
Molecular Weight193.25 g/mol
Exact Mass193.09
IUPAC Nameanthracen-1-amine
SMILESNc1cccc2cc3ccccc3cc12
InChIInChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
InChIKeyYUENFNPLGJCNRB-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-1-amine?
The IUPAC name of anthracen-1-amine (CID 11885) is anthracen-1-amine.
What is the SMILES notation for anthracen-1-amine?
The canonical SMILES for anthracen-1-amine is Nc1cccc2cc3ccccc3cc12.
What is the InChIKey of anthracen-1-amine?
The InChIKey is YUENFNPLGJCNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2.
What are the key properties of anthracen-1-amine?
anthracen-1-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-1-amine is sourced from PubChem (CID 11885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).