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

C15H17ClN2 — CID 62986989

IUPAC5-chloro-N-(3-phenylbutyl)pyridin-2-amine
SMILESCC(CCNc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-12(13-5-3-2-4-6-13)9-10-17-15-8-7-14(16)11-18-15/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyGFEVJKKPJQMESE-UHFFFAOYSA-N
MW260.77 g/mol
LogP4.34
Rot. Bonds5

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

5-chloro-N-(3-phenylbutyl)pyridin-2-amine (PubChem CID 62986989) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 5-chloro-N-(3-phenylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(3-phenylbutyl)pyridin-2-amine
PubChem CID62986989
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name5-chloro-N-(3-phenylbutyl)pyridin-2-amine
SMILESCC(CCNc1ccc(Cl)cn1)c1ccccc1
InChIInChI=1S/C15H17ClN2/c1-12(13-5-3-2-4-6-13)9-10-17-15-8-7-14(16)11-18-15/h2-8,11-12H,9-10H2,1H3,(H,17,18)
InChIKeyGFEVJKKPJQMESE-UHFFFAOYSA-N
XLogP4.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-phenylbutyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-(3-phenylbutyl)pyridin-2-amine (CID 62986989) is 5-chloro-N-(3-phenylbutyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-(3-phenylbutyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-(3-phenylbutyl)pyridin-2-amine is CC(CCNc1ccc(Cl)cn1)c1ccccc1.
What is the InChIKey of 5-chloro-N-(3-phenylbutyl)pyridin-2-amine?
The InChIKey is GFEVJKKPJQMESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2/c1-12(13-5-3-2-4-6-13)9-10-17-15-8-7-14(16)11-18-15/h2-8,11-12H,9-10H2,1H3,(H,17,18).
What are the key properties of 5-chloro-N-(3-phenylbutyl)pyridin-2-amine?
5-chloro-N-(3-phenylbutyl)pyridin-2-amine has a molecular weight of 260.77 g/mol, XLogP of 4.34, 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-phenylbutyl)pyridin-2-amine is sourced from PubChem (CID 62986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).