N-(4-ethylphenyl)anthracen-9-amine

C22H19N — CID 71380230

IUPACN-(4-ethylphenyl)anthracen-9-amine
SMILESCCc1ccc(Nc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H19N/c1-2-16-11-13-19(14-12-16)23-22-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)22/h3-15,23H,2H2,1H3
InChIKeyQXPKOEJDJXRLIR-UHFFFAOYSA-N
MW297.40 g/mol
LogP6.30
Rot. Bonds3

About N-(4-ethylphenyl)anthracen-9-amine

N-(4-ethylphenyl)anthracen-9-amine (PubChem CID 71380230) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(4-ethylphenyl)anthracen-9-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)anthracen-9-amine
PubChem CID71380230
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC NameN-(4-ethylphenyl)anthracen-9-amine
SMILESCCc1ccc(Nc2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C22H19N/c1-2-16-11-13-19(14-12-16)23-22-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)22/h3-15,23H,2H2,1H3
InChIKeyQXPKOEJDJXRLIR-UHFFFAOYSA-N
XLogP6.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-2-ylanthracen-9-amine
CID 139983847
ethane;2-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 91388045
2-(4-ethylanilino)quinoline-4-carboxylic acid
CID 4166547
2,6-dichloro-1-N-(4-ethylphenyl)benzene-1,4-diamine
CID 106889893
N-(4-ethylphenyl)-3-phenylaniline
CID 142244163
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222
N-[4-[[4-(pentacen-1-ylamino)phenyl]methyl]phenyl]pentacen-1-amine
CID 134716564
3-ethoxy-4-(4-ethylanilino)cyclobut-3-ene-1,2-dione
CID 20950383
N-[4-(aminomethyl)phenyl]anthracen-1-amine
CID 174815298
4-N-(4-ethylphenyl)benzene-1,4-diamine
CID 4764083
N-phenylphenanthren-2-amine
CID 23175030
bis(1,4-diethylbenzene);tris(naphthalen-2-ol)
CID 90749949

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)anthracen-9-amine?
The IUPAC name of N-(4-ethylphenyl)anthracen-9-amine (CID 71380230) is N-(4-ethylphenyl)anthracen-9-amine.
What is the SMILES notation for N-(4-ethylphenyl)anthracen-9-amine?
The canonical SMILES for N-(4-ethylphenyl)anthracen-9-amine is CCc1ccc(Nc2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)anthracen-9-amine?
The InChIKey is QXPKOEJDJXRLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-2-16-11-13-19(14-12-16)23-22-20-9-5-3-7-17(20)15-18-8-4-6-10-21(18)22/h3-15,23H,2H2,1H3.
What are the key properties of N-(4-ethylphenyl)anthracen-9-amine?
N-(4-ethylphenyl)anthracen-9-amine has a molecular weight of 297.40 g/mol, XLogP of 6.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)anthracen-9-amine is sourced from PubChem (CID 71380230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).