1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine

C18H19N — CID 79880127

IUPAC1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine
SMILESCc1cc(C)cc(C=C2CCc3cc(N)ccc32)c1
InChIInChI=1S/C18H19N/c1-12-7-13(2)9-14(8-12)10-15-3-4-16-11-17(19)5-6-18(15)16/h5-11H,3-4,19H2,1-2H3
InChIKeyULWGRWSTUNETHM-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.37
Rot. Bonds1

About 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine

1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine (PubChem CID 79880127) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine
PubChem CID79880127
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine
SMILESCc1cc(C)cc(C=C2CCc3cc(N)ccc32)c1
InChIInChI=1S/C18H19N/c1-12-7-13(2)9-14(8-12)10-15-3-4-16-11-17(19)5-6-18(15)16/h5-11H,3-4,19H2,1-2H3
InChIKeyULWGRWSTUNETHM-UHFFFAOYSA-N
XLogP4.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine?
The IUPAC name of 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine (CID 79880127) is 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine is Cc1cc(C)cc(C=C2CCc3cc(N)ccc32)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine?
The InChIKey is ULWGRWSTUNETHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-12-7-13(2)9-14(8-12)10-15-3-4-16-11-17(19)5-6-18(15)16/h5-11H,3-4,19H2,1-2H3.
What are the key properties of 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine?
1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine has a molecular weight of 249.36 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methylidene]-2,3-dihydroinden-5-amine is sourced from PubChem (CID 79880127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).