2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine

C16H18N2 — CID 113288104

IUPAC2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-13(15-8-4-3-5-9-15)12-18-14(2)16-10-6-7-11-17-16/h3-11,14,18H,1,12H2,2H3
InChIKeyMKZLLCDOGGHNJV-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.45
Rot. Bonds5

About 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine

2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine (PubChem CID 113288104) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
PubChem CID113288104
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)c1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N2/c1-13(15-8-4-3-5-9-15)12-18-14(2)16-10-6-7-11-17-16/h3-11,14,18H,1,12H2,2H3
InChIKeyMKZLLCDOGGHNJV-UHFFFAOYSA-N
XLogP3.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-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

ethyl 2-[[[(1R)-1-pyridin-2-ylethyl]amino]methyl]prop-2-enoate
CID 103258390
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
1-(1-pyridin-2-ylethylamino)propan-2-ol
CID 43499405
N-[(1S)-1-pyridin-2-ylethyl]but-2-yn-1-amine
CID 81402313
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-phenylprop-2-en-1-amine
CID 115328410
3-phenyl-N-[(1R)-1-pyridin-2-ylethyl]prop-2-yn-1-amine
CID 81401770
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
3-(1-pyridin-2-ylethylamino)propan-1-ol
CID 2772086
1-phenyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethanol
CID 81407252
1-phenyl-2-(1-pyridin-2-ylethylamino)ethanol
CID 43394637
N-(2-methylpropyl)-2-[[(1R)-1-pyridin-2-ylethyl]amino]acetamide
CID 81406744

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine?
The IUPAC name of 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine (CID 113288104) is 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine?
The canonical SMILES for 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine is C=C(CNC(C)c1ccccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine?
The InChIKey is MKZLLCDOGGHNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-13(15-8-4-3-5-9-15)12-18-14(2)16-10-6-7-11-17-16/h3-11,14,18H,1,12H2,2H3.
What are the key properties of 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine?
2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine has a molecular weight of 238.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-pyridin-2-ylethyl)prop-2-en-1-amine is sourced from PubChem (CID 113288104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).