(1S)-1-(5-phenyl-3-pyridinyl)ethanamine

C13H14N2 — CID 96702221

IUPAC(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H14N2/c1-10(14)12-7-13(9-15-8-12)11-5-3-2-4-6-11/h2-10H,14H2,1H3/t10-/m0/s1
InChIKeyADWLJBBTAGKMEX-JTQLQIEISA-N
MW198.27 g/mol
LogP2.77
Rot. Bonds2

About (1S)-1-(5-phenyl-3-pyridinyl)ethanamine

(1S)-1-(5-phenyl-3-pyridinyl)ethanamine (PubChem CID 96702221) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1S)-1-(5-phenyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
PubChem CID96702221
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name(1S)-1-(5-phenyl-3-pyridinyl)ethanamine
SMILESC[C@H](N)c1cncc(-c2ccccc2)c1
InChIInChI=1S/C13H14N2/c1-10(14)12-7-13(9-15-8-12)11-5-3-2-4-6-11/h2-10H,14H2,1H3/t10-/m0/s1
InChIKeyADWLJBBTAGKMEX-JTQLQIEISA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-phenyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(5-phenyl-3-pyridinyl)ethanamine (CID 96702221) is (1S)-1-(5-phenyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(5-phenyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(5-phenyl-3-pyridinyl)ethanamine is C[C@H](N)c1cncc(-c2ccccc2)c1.
What is the InChIKey of (1S)-1-(5-phenyl-3-pyridinyl)ethanamine?
The InChIKey is ADWLJBBTAGKMEX-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14N2/c1-10(14)12-7-13(9-15-8-12)11-5-3-2-4-6-11/h2-10H,14H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(5-phenyl-3-pyridinyl)ethanamine?
(1S)-1-(5-phenyl-3-pyridinyl)ethanamine has a molecular weight of 198.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-phenyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 96702221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).