(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine

C16H20N2O2 — CID 103937797

IUPAC(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H20N2O2/c1-3-15(17)16-9-8-14(10-18-16)20-11-12-4-6-13(19-2)7-5-12/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyRAUPEKZGAAAJIP-HNNXBMFYSA-N
MW272.35 g/mol
LogP3.08
Rot. Bonds6

About (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine

(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine (PubChem CID 103937797) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
PubChem CID103937797
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
SMILESCC[C@H](N)c1ccc(OCc2ccc(OC)cc2)cn1
InChIInChI=1S/C16H20N2O2/c1-3-15(17)16-9-8-14(10-18-16)20-11-12-4-6-13(19-2)7-5-12/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1
InChIKeyRAUPEKZGAAAJIP-HNNXBMFYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]ethanamine
CID 83123591
(1R)-1-[5-(4-methoxyphenyl)sulfanyl-2-pyridinyl]propan-1-amine
CID 103938100
1-[5-[4-(2-methoxyethyl)phenoxy]-2-pyridinyl]propan-1-amine
CID 115940032
1-[5-(3-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 112584748
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 103937928
(1S)-1-[5-(2-propoxyethoxy)-2-pyridinyl]propan-1-amine
CID 113355207
1-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]propan-1-amine
CID 112584686
1-[5-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]propan-1-amine
CID 104707911
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 60879589
(1S)-1-[2-[(4-methoxyphenyl)methoxy]phenyl]propan-1-amine
CID 78932859
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine?
The IUPAC name of (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine (CID 103937797) is (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine is CC[C@H](N)c1ccc(OCc2ccc(OC)cc2)cn1.
What is the InChIKey of (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine?
The InChIKey is RAUPEKZGAAAJIP-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-15(17)16-9-8-14(10-18-16)20-11-12-4-6-13(19-2)7-5-12/h4-10,15H,3,11,17H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine?
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine has a molecular weight of 272.35 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).