1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine

C17H22N2O — CID 115939962

IUPAC1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C17H22N2O/c1-3-12-18-16(4-2)17-11-10-15(13-19-17)20-14-8-6-5-7-9-14/h5-11,13,16,18H,3-4,12H2,1-2H3
InChIKeyANNNMQHFLHYJTG-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.32
Rot. Bonds7

About 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine

1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine (PubChem CID 115939962) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
PubChem CID115939962
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine
SMILESCCCNC(CC)c1ccc(Oc2ccccc2)cn1
InChIInChI=1S/C17H22N2O/c1-3-12-18-16(4-2)17-11-10-15(13-19-17)20-14-8-6-5-7-9-14/h5-11,13,16,18H,3-4,12H2,1-2H3
InChIKeyANNNMQHFLHYJTG-UHFFFAOYSA-N
XLogP4.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-1-(5-pyridin-3-yloxy-2-pyridinyl)propan-1-amine
CID 115940028
1-(5-methoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584694
1-(5-ethoxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584697
1-(5-propan-2-yloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584724
1-[5-(2-propoxyethoxy)-2-pyridinyl]-N-propylpropan-1-amine
CID 115940129
1-(5-cyclobutyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584886
1-(5-cyclopentyloxy-2-pyridinyl)-N-propylpropan-1-amine
CID 112584681
N-ethyl-1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 115940101
N-ethyl-1-[5-(4-methylsulfanylphenoxy)-2-pyridinyl]propan-1-amine
CID 115940125
N-ethyl-1-[5-(3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 115939974
N-ethyl-1-[5-(2-methylphenoxy)-2-pyridinyl]propan-1-amine
CID 115939959
1-[5-(2-methylcyclohexyl)oxy-2-pyridinyl]-N-propylpropan-1-amine
CID 115939879

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine?
The IUPAC name of 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine (CID 115939962) is 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine is CCCNC(CC)c1ccc(Oc2ccccc2)cn1.
What is the InChIKey of 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine?
The InChIKey is ANNNMQHFLHYJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-12-18-16(4-2)17-11-10-15(13-19-17)20-14-8-6-5-7-9-14/h5-11,13,16,18H,3-4,12H2,1-2H3.
What are the key properties of 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine?
1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenoxy-2-pyridinyl)-N-propylpropan-1-amine is sourced from PubChem (CID 115939962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).