5-chloro-N-(3-phenylpropyl)pyridin-2-amine

C14H15ClN2 — CID 54931106

IUPAC5-chloro-N-(3-phenylpropyl)pyridin-2-amine
SMILESClc1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C14H15ClN2/c15-13-8-9-14(17-11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17)
InChIKeyALOHMKKLTQGLES-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.78
Rot. Bonds5

About 5-chloro-N-(3-phenylpropyl)pyridin-2-amine

5-chloro-N-(3-phenylpropyl)pyridin-2-amine (PubChem CID 54931106) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 5-chloro-N-(3-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-phenylpropyl)pyridin-2-amine
PubChem CID54931106
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name5-chloro-N-(3-phenylpropyl)pyridin-2-amine
SMILESClc1ccc(NCCCc2ccccc2)nc1
InChIInChI=1S/C14H15ClN2/c15-13-8-9-14(17-11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17)
InChIKeyALOHMKKLTQGLES-UHFFFAOYSA-N
XLogP3.78
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-phenylpropyl)pyridin-2-amine (CID 54931106) is 5-chloro-N-(3-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-phenylpropyl)pyridin-2-amine is Clc1ccc(NCCCc2ccccc2)nc1.
What is the InChIKey of 5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
The InChIKey is ALOHMKKLTQGLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-13-8-9-14(17-11-13)16-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11H,4,7,10H2,(H,16,17).
What are the key properties of 5-chloro-N-(3-phenylpropyl)pyridin-2-amine?
5-chloro-N-(3-phenylpropyl)pyridin-2-amine has a molecular weight of 246.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 54931106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).