4H-phenalen-2-amine

C13H11N — CID 142737453

IUPAC4H-phenalen-2-amine
SMILESNc1cc2c3c(cccc3c1)C=CC2
InChIInChI=1S/C13H11N/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h1-5,7-8H,6,14H2
InChIKeyUYEPKDSTAAHLAW-UHFFFAOYSA-N
MW181.24 g/mol
LogP2.99
Rot. Bonds

About 4H-phenalen-2-amine

4H-phenalen-2-amine (PubChem CID 142737453) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is 4H-phenalen-2-amine.

Molecular Properties

Compound Name4H-phenalen-2-amine
PubChem CID142737453
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name4H-phenalen-2-amine
SMILESNc1cc2c3c(cccc3c1)C=CC2
InChIInChI=1S/C13H11N/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h1-5,7-8H,6,14H2
InChIKeyUYEPKDSTAAHLAW-UHFFFAOYSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.99
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

1H-phenalene;hydrofluoride
CID 174317076
cyclobutene;1H-phenalene
CID 175310152
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CID 174365170
acetylene;benzene;1H-phenalene
CID 174693937
1H-phenalene;propanoic acid
CID 174844804
2-amino-2-(hydroxymethyl)propane-1,3-diol;1H-phenalene
CID 146465575
ethane;isocyanic acid;1H-phenalene
CID 175301579
5-(4H-phenalen-2-yl)pentanoic acid
CID 70010668
12-naphthalen-1-yl-7-(4H-phenalen-2-yl)benzo[a]anthracene
CID 58535925
1,3-dioxol-2-one;1H-phenalene
CID 175175207
ethanediperoxoic acid;1H-phenalene
CID 174546441
tris(2H-oxazine);1H-phenalene
CID 68866882

Frequently Asked Questions

What is the IUPAC name of 4H-phenalen-2-amine?
The IUPAC name of 4H-phenalen-2-amine (CID 142737453) is 4H-phenalen-2-amine.
What is the SMILES notation for 4H-phenalen-2-amine?
The canonical SMILES for 4H-phenalen-2-amine is Nc1cc2c3c(cccc3c1)C=CC2.
What is the InChIKey of 4H-phenalen-2-amine?
The InChIKey is UYEPKDSTAAHLAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N/c14-12-7-10-5-1-3-9-4-2-6-11(8-12)13(9)10/h1-5,7-8H,6,14H2.
What are the key properties of 4H-phenalen-2-amine?
4H-phenalen-2-amine has a molecular weight of 181.24 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-phenalen-2-amine is sourced from PubChem (CID 142737453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).