(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine

C16H20N2O2 — CID 83123438

IUPAC(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
SMILESCCCOc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-19-13-4-6-14(7-5-13)20-15-8-9-16(12(2)17)18-11-15/h4-9,11-12H,3,10,17H2,1-2H3/t12-/m1/s1
InChIKeyTWWHTZDKWXDMRG-GFCCVEGCSA-N
MW272.35 g/mol
LogP3.68
Rot. Bonds6

About (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine

(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine (PubChem CID 83123438) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
PubChem CID83123438
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine
SMILESCCCOc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1
InChIInChI=1S/C16H20N2O2/c1-3-10-19-13-4-6-14(7-5-13)20-15-8-9-16(12(2)17)18-11-15/h4-9,11-12H,3,10,17H2,1-2H3/t12-/m1/s1
InChIKeyTWWHTZDKWXDMRG-GFCCVEGCSA-N
XLogP3.68
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(5-butoxy-2-pyridinyl)ethanamine
CID 83124335
(1R)-1-[5-(2-propoxyphenoxy)-2-pyridinyl]ethanamine
CID 83127920
1-(5-pentoxy-2-pyridinyl)ethanamine
CID 83123207
1-(5-octoxy-2-pyridinyl)ethanamine
CID 83124085
(1R)-1-[5-(4-propan-2-ylphenoxy)-2-pyridinyl]ethanamine
CID 83127768
(1S)-1-[5-(2-butoxyethoxy)-2-pyridinyl]ethanamine
CID 83123515
1-[5-(2-methoxyethoxy)-2-pyridinyl]ethanamine
CID 83127602
(1R)-1-[5-(3-methylbutoxy)-2-pyridinyl]ethanamine
CID 83127275
2-[4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]phenyl]acetonitrile
CID 83126884
1-[5-(2-propan-2-yloxyethoxy)-2-pyridinyl]ethanamine
CID 83128080
4-[[6-[(1S)-1-aminoethyl]-3-pyridinyl]oxy]benzamide
CID 83123833
1-(5-propoxy-2-pyridinyl)ethanol
CID 174643637

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine?
The IUPAC name of (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine (CID 83123438) is (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine.
What is the SMILES notation for (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine?
The canonical SMILES for (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine is CCCOc1ccc(Oc2ccc([C@@H](C)N)nc2)cc1.
What is the InChIKey of (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine?
The InChIKey is TWWHTZDKWXDMRG-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-10-19-13-4-6-14(7-5-13)20-15-8-9-16(12(2)17)18-11-15/h4-9,11-12H,3,10,17H2,1-2H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine?
(1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine has a molecular weight of 272.35 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(4-propoxyphenoxy)-2-pyridinyl]ethanamine is sourced from PubChem (CID 83123438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).