fluoranthen-3-amine

C16H11N — CID 17599

IUPACfluoranthen-3-amine
SMILESNc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
InChIKeyVHGJAFIHUSTRGB-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.07
Rot. Bonds

About fluoranthen-3-amine

fluoranthen-3-amine (PubChem CID 17599) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is fluoranthen-3-amine.

Molecular Properties

Compound Namefluoranthen-3-amine
PubChem CID17599
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namefluoranthen-3-amine
SMILESNc1ccc2c3c(cccc13)-c1ccccc1-2
InChIInChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
InChIKeyVHGJAFIHUSTRGB-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'}

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Frequently Asked Questions

What is the IUPAC name of fluoranthen-3-amine?
The IUPAC name of fluoranthen-3-amine (CID 17599) is fluoranthen-3-amine.
What is the SMILES notation for fluoranthen-3-amine?
The canonical SMILES for fluoranthen-3-amine is Nc1ccc2c3c(cccc13)-c1ccccc1-2.
What is the InChIKey of fluoranthen-3-amine?
The InChIKey is VHGJAFIHUSTRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2.
What are the key properties of fluoranthen-3-amine?
fluoranthen-3-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-3-amine is sourced from PubChem (CID 17599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).