N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine

C14H21FN2O — CID 79712510

IUPACN-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H21FN2O/c1-2-7-16-14(11-5-8-18-9-6-11)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,2,5-9H2,1H3
InChIKeyVRNRPYYRJSGFKN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine

N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine (PubChem CID 79712510) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
PubChem CID79712510
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C14H21FN2O/c1-2-7-16-14(11-5-8-18-9-6-11)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,2,5-9H2,1H3
InChIKeyVRNRPYYRJSGFKN-UHFFFAOYSA-N
XLogP2.69
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine (CID 79712510) is N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine is CCCNC(c1ccc(F)cn1)C1CCOCC1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine?
The InChIKey is VRNRPYYRJSGFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-7-16-14(11-5-8-18-9-6-11)13-4-3-12(15)10-17-13/h3-4,10-11,14,16H,2,5-9H2,1H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine?
N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 79712510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).