fluoranthen-1-amine

C16H11N — CID 25756

IUPACfluoranthen-1-amine
SMILESNc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C16H11N/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9H,17H2
InChIKeyJWVIPHYUPQJQSW-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.07
Rot. Bonds

About fluoranthen-1-amine

fluoranthen-1-amine (PubChem CID 25756) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is fluoranthen-1-amine.

Molecular Properties

Compound Namefluoranthen-1-amine
PubChem CID25756
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namefluoranthen-1-amine
SMILESNc1ccc2cccc3c2c1-c1ccccc1-3
InChIInChI=1S/C16H11N/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9H,17H2
InChIKeyJWVIPHYUPQJQSW-UHFFFAOYSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze fluoranthen-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoranthen-1-amine?
The IUPAC name of fluoranthen-1-amine (CID 25756) is fluoranthen-1-amine.
What is the SMILES notation for fluoranthen-1-amine?
The canonical SMILES for fluoranthen-1-amine is Nc1ccc2cccc3c2c1-c1ccccc1-3.
What is the InChIKey of fluoranthen-1-amine?
The InChIKey is JWVIPHYUPQJQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-14-9-8-10-4-3-7-12-11-5-1-2-6-13(11)16(14)15(10)12/h1-9H,17H2.
What are the key properties of fluoranthen-1-amine?
fluoranthen-1-amine has a molecular weight of 217.27 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthen-1-amine is sourced from PubChem (CID 25756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).