1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

C14H21FN2O2 — CID 104705835

IUPAC1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1(OC)CCOC1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18-2)6-7-19-10-14/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3
InChIKeyXKUGDCZCPWAGBJ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.07
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine

1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (PubChem CID 104705835) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
PubChem CID104705835
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
SMILESCCC(NCC1(OC)CCOC1)c1ccc(F)cn1
InChIInChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18-2)6-7-19-10-14/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3
InChIKeyXKUGDCZCPWAGBJ-UHFFFAOYSA-N
XLogP2.07
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine (CID 104705835) is 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is CCC(NCC1(OC)CCOC1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
The InChIKey is XKUGDCZCPWAGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c1-3-12(13-5-4-11(15)8-16-13)17-9-14(18-2)6-7-19-10-14/h4-5,8,12,17H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine?
1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine has a molecular weight of 268.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 104705835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).