2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine

C16H21N3 — CID 81024221

IUPAC2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cnccn1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-8-17-12-15(14-6-4-3-5-7-14)11-16-13-18-9-10-19-16/h3-7,9-10,13,15,17H,2,8,11-12H2,1H3
InChIKeyILPKOACPBZTRDL-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.80
Rot. Bonds7

About 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine

2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine (PubChem CID 81024221) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
PubChem CID81024221
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine
SMILESCCCNCC(Cc1cnccn1)c1ccccc1
InChIInChI=1S/C16H21N3/c1-2-8-17-12-15(14-6-4-3-5-7-14)11-16-13-18-9-10-19-16/h3-7,9-10,13,15,17H,2,8,11-12H2,1H3
InChIKeyILPKOACPBZTRDL-UHFFFAOYSA-N
XLogP2.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-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

3-(4-bromophenyl)-2-phenyl-N-propylpropan-1-amine
CID 65429859
3-(2,4-dimethylphenyl)-2-phenyl-N-propylpropan-1-amine
CID 81027985
3-methoxy-2-phenyl-N-propylpropan-1-amine
CID 103984694
3-(3-methylthiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 81024674
3-(2-methyltetrazol-5-yl)-2-phenyl-N-propylpropan-1-amine
CID 107053280
2-phenyl-N-propylnonan-1-amine
CID 65429485
2-(4-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79432117
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
3-(3,4-difluorophenyl)-2-phenyl-N-propylpropan-1-amine
CID 81028438
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
2-(3-chlorophenyl)-3-(3-chloro-4-pyridinyl)-N-propylpropan-1-amine
CID 79433408
4-methyl-2-phenyl-N-propylheptan-1-amine
CID 65430595

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine?
The IUPAC name of 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine (CID 81024221) is 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine.
What is the SMILES notation for 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine?
The canonical SMILES for 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine is CCCNCC(Cc1cnccn1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine?
The InChIKey is ILPKOACPBZTRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-8-17-12-15(14-6-4-3-5-7-14)11-16-13-18-9-10-19-16/h3-7,9-10,13,15,17H,2,8,11-12H2,1H3.
What are the key properties of 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine?
2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-propyl-3-pyrazin-2-ylpropan-1-amine is sourced from PubChem (CID 81024221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).