2-(2,3-dimethylphenyl)-1H-phenalen-1-amine

C21H19N — CID 175022642

IUPAC2-(2,3-dimethylphenyl)-1H-phenalen-1-amine
SMILESCc1cccc(C2=Cc3cccc4cccc(c34)C2N)c1C
InChIInChI=1S/C21H19N/c1-13-6-3-10-17(14(13)2)19-12-16-9-4-7-15-8-5-11-18(20(15)16)21(19)22/h3-12,21H,22H2,1-2H3
InChIKeyLXEJUJQWOTXNST-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.01
Rot. Bonds1

About 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine

2-(2,3-dimethylphenyl)-1H-phenalen-1-amine (PubChem CID 175022642) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)-1H-phenalen-1-amine
PubChem CID175022642
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-(2,3-dimethylphenyl)-1H-phenalen-1-amine
SMILESCc1cccc(C2=Cc3cccc4cccc(c34)C2N)c1C
InChIInChI=1S/C21H19N/c1-13-6-3-10-17(14(13)2)19-12-16-9-4-7-15-8-5-11-18(20(15)16)21(19)22/h3-12,21H,22H2,1-2H3
InChIKeyLXEJUJQWOTXNST-UHFFFAOYSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dimethylphenyl)-1-methyl-1H-indene
CID 21095571
1H-phenalene-1,2-diamine;dihydrochloride
CID 174160144
1-methyl-2-(2,3,4-trimethylphenyl)-1H-indene
CID 21095645
2-amino-2H-acenaphthylen-1-one
CID 603051
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
2-methylphenalen-1-one
CID 15695099
1-(2-chloroethenyl)-2-methyl-1H-phenalene
CID 173447029
2,4,6-tris(2,3-dimethylphenyl)-1,3,5-triazine
CID 22475994
1-(2,3-dimethylphenyl)phenanthrene
CID 175838627
2-(4-butylphenyl)-1H-phenalene-1,4-diamine
CID 175358026
2-(2,6-dimethylanilino)phenalen-1-one
CID 101222281

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine?
The IUPAC name of 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine (CID 175022642) is 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine?
The canonical SMILES for 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine is Cc1cccc(C2=Cc3cccc4cccc(c34)C2N)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine?
The InChIKey is LXEJUJQWOTXNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-13-6-3-10-17(14(13)2)19-12-16-9-4-7-15-8-5-11-18(20(15)16)21(19)22/h3-12,21H,22H2,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine?
2-(2,3-dimethylphenyl)-1H-phenalen-1-amine has a molecular weight of 285.39 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)-1H-phenalen-1-amine is sourced from PubChem (CID 175022642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).