3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine

C16H16N2 — CID 130449218

IUPAC3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine
SMILESCC(c1ccccn1)c1ccccc1C#CCN
InChIInChI=1S/C16H16N2/c1-13(16-10-4-5-12-18-16)15-9-3-2-7-14(15)8-6-11-17/h2-5,7,9-10,12-13H,11,17H2,1H3
InChIKeyUOYFICSKBLIXFK-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.54
Rot. Bonds2

About 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine

3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine (PubChem CID 130449218) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine.

Molecular Properties

Compound Name3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine
PubChem CID130449218
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine
SMILESCC(c1ccccn1)c1ccccc1C#CCN
InChIInChI=1S/C16H16N2/c1-13(16-10-4-5-12-18-16)15-9-3-2-7-14(15)8-6-11-17/h2-5,7,9-10,12-13H,11,17H2,1H3
InChIKeyUOYFICSKBLIXFK-UHFFFAOYSA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-pyridin-2-ylpropan-1-amine
CID 21481533
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
5-(3-aminoprop-1-ynyl)-N-(1-pyridin-2-ylethyl)thiophene-3-carboxamide
CID 79696529
ethane;2-(1-phenylethyl)pyridine
CID 143899083
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
5-(3-aminoprop-1-ynyl)-4-methyl-N-(1-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 79977285
(E)-3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-enal
CID 173284954
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
CID 81401770
2-(aminomethyl)-4-pyridin-2-ylpentan-1-ol
CID 83929964

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine?
The IUPAC name of 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine (CID 130449218) is 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine.
What is the SMILES notation for 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine?
The canonical SMILES for 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine is CC(c1ccccn1)c1ccccc1C#CCN.
What is the InChIKey of 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine?
The InChIKey is UOYFICSKBLIXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2/c1-13(16-10-4-5-12-18-16)15-9-3-2-7-14(15)8-6-11-17/h2-5,7,9-10,12-13H,11,17H2,1H3.
What are the key properties of 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine?
3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine has a molecular weight of 236.32 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-pyridin-2-ylethyl)phenyl]prop-2-yn-1-amine is sourced from PubChem (CID 130449218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).