(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine

C13H16N2O2S — CID 105026408

IUPAC(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCOc1cncc(C(N)c2sccc2OC)c1
InChIInChI=1S/C13H16N2O2S/c1-3-17-10-6-9(7-15-8-10)12(14)13-11(16-2)4-5-18-13/h4-8,12H,3,14H2,1-2H3
InChIKeyQKKPTVOKJPAPLZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.60
Rot. Bonds5

About (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine

(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine (PubChem CID 105026408) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
PubChem CID105026408
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine
SMILESCCOc1cncc(C(N)c2sccc2OC)c1
InChIInChI=1S/C13H16N2O2S/c1-3-17-10-6-9(7-15-8-10)12(14)13-11(16-2)4-5-18-13/h4-8,12H,3,14H2,1-2H3
InChIKeyQKKPTVOKJPAPLZ-UHFFFAOYSA-N
XLogP2.60
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
(5-ethoxy-3-pyridinyl)-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105175454
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
(5-ethoxy-3-pyridinyl)-(5-ethylthiophen-2-yl)methanamine
CID 105026593
(5-ethoxy-3-pyridinyl)-(1,2,5-thiadiazol-3-yl)methanamine
CID 105175526
(2,5-dimethylphenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026374
[(4-chloro-2-methoxyphenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105330019
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanone
CID 115793680
(5-ethoxy-3-pyridinyl)-(2-ethylfuran-3-yl)methanamine
CID 114104489
1-(5-ethoxy-3-pyridinyl)-2-phenylbutan-1-amine
CID 105026478
(4-bromo-3-fluorophenyl)-(5-ethoxy-3-pyridinyl)methanamine
CID 105026649

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine?
The IUPAC name of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine (CID 105026408) is (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine.
What is the SMILES notation for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine?
The canonical SMILES for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine is CCOc1cncc(C(N)c2sccc2OC)c1.
What is the InChIKey of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine?
The InChIKey is QKKPTVOKJPAPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-3-17-10-6-9(7-15-8-10)12(14)13-11(16-2)4-5-18-13/h4-8,12H,3,14H2,1-2H3.
What are the key properties of (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine?
(5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine has a molecular weight of 264.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-3-pyridinyl)-(3-methoxythiophen-2-yl)methanamine is sourced from PubChem (CID 105026408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).