(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine

C13H16N2OS — CID 103937928

IUPAC(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2cccs2)cn1
InChIInChI=1S/C13H16N2OS/c1-2-12(14)13-6-5-10(8-15-13)16-9-11-4-3-7-17-11/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1
InChIKeyJFFBFYLYOBSWOD-GFCCVEGCSA-N
MW248.35 g/mol
LogP3.13
Rot. Bonds5

About (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine

(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine (PubChem CID 103937928) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
PubChem CID103937928
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(OCc2cccs2)cn1
InChIInChI=1S/C13H16N2OS/c1-2-12(14)13-6-5-10(8-15-13)16-9-11-4-3-7-17-11/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1
InChIKeyJFFBFYLYOBSWOD-GFCCVEGCSA-N
XLogP3.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584876
N-ethyl-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584875
(1S)-1-[5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]propan-1-amine
CID 103937797
6-[(1R)-1-aminopropyl]-N-methyl-N-(2-thiophen-2-ylethyl)pyridin-3-amine
CID 103937486
2-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]ethanamine
CID 79800061
(1S)-1-[2-(thiophen-2-ylmethoxy)phenyl]propan-1-amine
CID 78932960
(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-(cyclopentylmethoxy)-2-pyridinyl]propan-1-amine
CID 112584937
(1S)-1-(5-butan-2-yloxy-2-pyridinyl)propan-1-amine
CID 103937876
(1R)-1-[5-(3-pyridin-4-ylpropoxy)-2-pyridinyl]propan-1-amine
CID 103937833
(1S)-1-[5-(4-bromophenoxy)-2-pyridinyl]propan-1-amine
CID 103937759

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The IUPAC name of (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine (CID 103937928) is (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The canonical SMILES for (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine is CC[C@@H](N)c1ccc(OCc2cccs2)cn1.
What is the InChIKey of (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
The InChIKey is JFFBFYLYOBSWOD-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-12(14)13-6-5-10(8-15-13)16-9-11-4-3-7-17-11/h3-8,12H,2,9,14H2,1H3/t12-/m1/s1.
What are the key properties of (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine?
(1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine has a molecular weight of 248.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[5-(thiophen-2-ylmethoxy)-2-pyridinyl]propan-1-amine is sourced from PubChem (CID 103937928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).