1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine

C17H22N2O2 — CID 115940032

IUPAC1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc(CCOC)cc2)cn1
InChIInChI=1S/C17H22N2O2/c1-3-16(18)17-9-8-15(12-19-17)21-14-6-4-13(5-7-14)10-11-20-2/h4-9,12,16H,3,10-11,18H2,1-2H3
InChIKeyLLTLKCYISASEMH-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.47
Rot. Bonds7

About 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine

1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine (PubChem CID 115940032) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
PubChem CID115940032
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
SMILESCCC(N)c1ccc(Oc2ccc(CCOC)cc2)cn1
InChIInChI=1S/C17H22N2O2/c1-3-16(18)17-9-8-15(12-19-17)21-14-6-4-13(5-7-14)10-11-20-2/h4-9,12,16H,3,10-11,18H2,1-2H3
InChIKeyLLTLKCYISASEMH-UHFFFAOYSA-N
XLogP3.47
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]ethanol
CID 83124503
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759
(1S)-1-[5-(4-iodophenoxy)-2-pyridinyl]propan-1-amine
CID 103937836
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
(1S)-1-[5-(3,5-dichlorophenoxy)-2-pyridinyl]propan-1-amine
CID 103937870
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
1-[5-(4-nitrophenoxy)-2-pyridinyl]propan-1-amine
CID 115940057
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
(1S)-1-[5-(4-chloro-3-fluorophenoxy)-2-pyridinyl]propan-1-amine
CID 103938051
(1S)-1-[5-(3-methyl-4-propan-2-ylphenoxy)-2-pyridinyl]propan-1-amine
CID 103937754

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine?
The IUPAC name of 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine (CID 115940032) is 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine?
The canonical SMILES for 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine is CCC(N)c1ccc(Oc2ccc(CCOC)cc2)cn1.
What is the InChIKey of 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine?
The InChIKey is LLTLKCYISASEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-16(18)17-9-8-15(12-19-17)21-14-6-4-13(5-7-14)10-11-20-2/h4-9,12,16H,3,10-11,18H2,1-2H3.
What are the key properties of 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine?
1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine has a molecular weight of 286.38 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 115940032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).