4-benzyl-2H-pyridin-1-amine

C12H14N2 — CID 86600925

IUPAC4-benzyl-2H-pyridin-1-amine
SMILESNN1C=CC(Cc2ccccc2)=CC1
InChIInChI=1S/C12H14N2/c13-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-8H,9-10,13H2
InChIKeyVZVOPDWBXASCCX-UHFFFAOYSA-N
MW186.26 g/mol
LogP1.86
Rot. Bonds2

About 4-benzyl-2H-pyridin-1-amine

4-benzyl-2H-pyridin-1-amine (PubChem CID 86600925) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-benzyl-2H-pyridin-1-amine.

Molecular Properties

Compound Name4-benzyl-2H-pyridin-1-amine
PubChem CID86600925
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-benzyl-2H-pyridin-1-amine
SMILESNN1C=CC(Cc2ccccc2)=CC1
InChIInChI=1S/C12H14N2/c13-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-8H,9-10,13H2
InChIKeyVZVOPDWBXASCCX-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2H-pyridin-1-amine?
The IUPAC name of 4-benzyl-2H-pyridin-1-amine (CID 86600925) is 4-benzyl-2H-pyridin-1-amine.
What is the SMILES notation for 4-benzyl-2H-pyridin-1-amine?
The canonical SMILES for 4-benzyl-2H-pyridin-1-amine is NN1C=CC(Cc2ccccc2)=CC1.
What is the InChIKey of 4-benzyl-2H-pyridin-1-amine?
The InChIKey is VZVOPDWBXASCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-14-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-8H,9-10,13H2.
What are the key properties of 4-benzyl-2H-pyridin-1-amine?
4-benzyl-2H-pyridin-1-amine has a molecular weight of 186.26 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2H-pyridin-1-amine is sourced from PubChem (CID 86600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).