2-(3-naphthalen-2-ylprop-2-ynyl)aniline

C19H15N — CID 135078616

IUPAC2-(3-naphthalen-2-ylprop-2-ynyl)aniline
SMILESNc1ccccc1CC#Cc1ccc2ccccc2c1
InChIInChI=1S/C19H15N/c20-19-11-4-3-8-17(19)10-5-6-15-12-13-16-7-1-2-9-18(16)14-15/h1-4,7-9,11-14H,10,20H2
InChIKeyRXHMLCIHYLEQBW-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.02
Rot. Bonds1

About 2-(3-naphthalen-2-ylprop-2-ynyl)aniline

2-(3-naphthalen-2-ylprop-2-ynyl)aniline (PubChem CID 135078616) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylprop-2-ynyl)aniline.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylprop-2-ynyl)aniline
PubChem CID135078616
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name2-(3-naphthalen-2-ylprop-2-ynyl)aniline
SMILESNc1ccccc1CC#Cc1ccc2ccccc2c1
InChIInChI=1S/C19H15N/c20-19-11-4-3-8-17(19)10-5-6-15-12-13-16-7-1-2-9-18(16)14-15/h1-4,7-9,11-14H,10,20H2
InChIKeyRXHMLCIHYLEQBW-UHFFFAOYSA-N
XLogP4.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-naphthalen-2-ylprop-2-ynyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylprop-2-ynyl)aniline?
The IUPAC name of 2-(3-naphthalen-2-ylprop-2-ynyl)aniline (CID 135078616) is 2-(3-naphthalen-2-ylprop-2-ynyl)aniline.
What is the SMILES notation for 2-(3-naphthalen-2-ylprop-2-ynyl)aniline?
The canonical SMILES for 2-(3-naphthalen-2-ylprop-2-ynyl)aniline is Nc1ccccc1CC#Cc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-naphthalen-2-ylprop-2-ynyl)aniline?
The InChIKey is RXHMLCIHYLEQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c20-19-11-4-3-8-17(19)10-5-6-15-12-13-16-7-1-2-9-18(16)14-15/h1-4,7-9,11-14H,10,20H2.
What are the key properties of 2-(3-naphthalen-2-ylprop-2-ynyl)aniline?
2-(3-naphthalen-2-ylprop-2-ynyl)aniline has a molecular weight of 257.34 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylprop-2-ynyl)aniline is sourced from PubChem (CID 135078616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).