3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine

C14H14F2N2 — CID 112675813

IUPAC3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
SMILESCCC(Nc1ncc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H14F2N2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeyBZCADJUCLQXFSR-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.92
Rot. Bonds4

About 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine

3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine (PubChem CID 112675813) has the molecular formula C14H14F2N2 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
PubChem CID112675813
Molecular FormulaC14H14F2N2
Molecular Weight248.28 g/mol
Exact Mass248.11
IUPAC Name3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
SMILESCCC(Nc1ncc(F)cc1F)c1ccccc1
InChIInChI=1S/C14H14F2N2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2H2,1H3,(H,17,18)
InChIKeyBZCADJUCLQXFSR-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
5-fluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 62305917
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
2-chloro-4,6-difluoro-N-(1-phenylpropyl)aniline
CID 83082045
3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
CID 106231403
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
5-bromo-2-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 63539534
5-chloro-6-(1-phenylpropylamino)pyridine-3-carboxylic acid
CID 62305236
2-N-(3,5-difluoro-2-pyridinyl)-3-phenylpropane-1,2-diamine
CID 112676639
5-chloro-2-fluoro-N-(1-phenylpropyl)aniline
CID 43381923
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
3-bromo-5-nitro-N-(1-phenylpropyl)pyridin-2-amine
CID 79534888

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine (CID 112675813) is 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine is CCC(Nc1ncc(F)cc1F)c1ccccc1.
What is the InChIKey of 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine?
The InChIKey is BZCADJUCLQXFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2/c1-2-13(10-6-4-3-5-7-10)18-14-12(16)8-11(15)9-17-14/h3-9,13H,2H2,1H3,(H,17,18).
What are the key properties of 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine?
3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine has a molecular weight of 248.28 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine is sourced from PubChem (CID 112675813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).