fluoranthen-2-amine

C16H11N — CID 25757

IUPACfluoranthen-2-amine
SMILESNc1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C16H11N/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H,17H2
InChIKeyFREJZSNCUFQJEK-UHFFFAOYSA-N
MW217.27 g/mol
LogP4.07
Rot. Bonds

About fluoranthen-2-amine

fluoranthen-2-amine (PubChem CID 25757) has the molecular formula C16H11N and a molecular weight of 217.27 g/mol. Its IUPAC name is fluoranthen-2-amine.

Molecular Properties

Compound Namefluoranthen-2-amine
PubChem CID25757
Molecular FormulaC16H11N
Molecular Weight217.27 g/mol
Exact Mass217.09
IUPAC Namefluoranthen-2-amine
SMILESNc1cc2c3c(cccc3c1)-c1ccccc1-2
InChIInChI=1S/C16H11N/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H,17H2
InChIKeyFREJZSNCUFQJEK-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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Related Compounds

7-amino-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
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fluoranthene
CID 139203734
tricyclo[5.3.0.02,6]deca-1,3,5,7,9-pentaen-4-amine
CID 172543836
2-[4-(4-naphthalen-2-ylphenyl)phenyl]fluoranthene
CID 140801763
2,9-diphenylfluoranthene
CID 174565991
2-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]fluoranthene
CID 140801800
benzo[a]pyrene;fluoranthene;naphthalene;phenanthrene;pyrene
CID 159525445
4-(4-fluoranthen-2-ylphenyl)pyridine
CID 130295099
ethane;fluoranthene;triphenylene
CID 160720447
benzo[k]fluoranthene;ethane
CID 142369852
5-amino-2-(2-amino-2-methylpropyl)benzo[de]isoquinoline-1,3-dione
CID 174524735
ethyl fluoranthene-2-carboxylate
CID 158100580

Frequently Asked Questions

What is the IUPAC name of fluoranthen-2-amine?
The IUPAC name of fluoranthen-2-amine (CID 25757) is fluoranthen-2-amine.
What is the SMILES notation for fluoranthen-2-amine?
The canonical SMILES for fluoranthen-2-amine is Nc1cc2c3c(cccc3c1)-c1ccccc1-2.
What is the InChIKey of fluoranthen-2-amine?
The InChIKey is FREJZSNCUFQJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N/c17-11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H,17H2.
What are the key properties of fluoranthen-2-amine?
fluoranthen-2-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-2-amine is sourced from PubChem (CID 25757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).