1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine

C14H14F2N2O — CID 80639619

IUPAC1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cc(F)ccc2F)nc1
InChIInChI=1S/C14H14F2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-7-11(15)3-4-12(13)16/h2-5,7-9H,6,17H2,1H3
InChIKeyOHQQHFKSSOQOTC-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.04
Rot. Bonds4

About 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine

1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine (PubChem CID 80639619) has the molecular formula C14H14F2N2O and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine.

Molecular Properties

Compound Name1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
PubChem CID80639619
Molecular FormulaC14H14F2N2O
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine
SMILESCC(N)Cc1ccc(Oc2cc(F)ccc2F)nc1
InChIInChI=1S/C14H14F2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-7-11(15)3-4-12(13)16/h2-5,7-9H,6,17H2,1H3
InChIKeyOHQQHFKSSOQOTC-UHFFFAOYSA-N
XLogP3.04
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
1-[6-(2,4-dichlorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640339
1-[4-(2,5-difluorophenoxy)-3-fluorophenyl]propan-2-amine
CID 63803510
1-[6-(4-chloro-2-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80639510
N-[[6-(2,5-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 63273316
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[6-(4-bromo-2-fluorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640738
1-[6-(4-chloro-3-methylphenoxy)-3-pyridinyl]propan-2-amine
CID 80640424
1-(6-phenylmethoxy-3-pyridinyl)propan-2-amine
CID 71131754
2-(2,5-difluorophenoxy)-5-nitropyridine
CID 118138295
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine?
The IUPAC name of 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine (CID 80639619) is 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine.
What is the SMILES notation for 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine?
The canonical SMILES for 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine is CC(N)Cc1ccc(Oc2cc(F)ccc2F)nc1.
What is the InChIKey of 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine?
The InChIKey is OHQQHFKSSOQOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-9(17)6-10-2-5-14(18-8-10)19-13-7-11(15)3-4-12(13)16/h2-5,7-9H,6,17H2,1H3.
What are the key properties of 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine?
1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine has a molecular weight of 264.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,5-difluorophenoxy)-3-pyridinyl]propan-2-amine is sourced from PubChem (CID 80639619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).