N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine

C13H16N2OS — CID 107558300

IUPACN-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccnc2)s1
InChIInChI=1S/C13H16N2OS/c1-2-14-9-12-5-6-13(17-12)10-16-11-4-3-7-15-8-11/h3-8,14H,2,9-10H2,1H3
InChIKeyTYTMJLDWFQVUKM-UHFFFAOYSA-N
MW248.35 g/mol
LogP2.83
Rot. Bonds6

About N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine

N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine (PubChem CID 107558300) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
PubChem CID107558300
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC NameN-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine
SMILESCCNCc1ccc(COc2cccnc2)s1
InChIInChI=1S/C13H16N2OS/c1-2-14-9-12-5-6-13(17-12)10-16-11-4-3-7-15-8-11/h3-8,14H,2,9-10H2,1H3
InChIKeyTYTMJLDWFQVUKM-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-ethylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558453
N-[[5-[(4-methylsulfanylphenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558912
N-[[5-[[4-(trifluoromethyl)phenoxy]methyl]thiophen-2-yl]methyl]ethanamine
CID 107557974
N-[[5-(2-phenoxyethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558136
N-[[5-methyl-4-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 80728873
N-[[5-(pyridin-3-ylmethoxy)-2-pyridinyl]methyl]ethanamine
CID 79775715
N-[[5-[(5-bromo-3-pyridinyl)oxymethyl]thiophen-2-yl]methyl]propan-1-amine
CID 107558967
N-ethyl-4-pyridin-3-yloxybutan-1-amine
CID 62451744
N-[[5-[(2,3-dichlorophenoxy)methyl]thiophen-2-yl]methyl]ethanamine
CID 107558332
N-[[5-(cyclopropylmethoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558241
2-(pyridin-3-yloxymethyl)-1,3-oxazole
CID 54003976
N-methyl-1-[2-(pyridin-3-yloxymethyl)furan-3-yl]methanamine
CID 62451011

Frequently Asked Questions

What is the IUPAC name of N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine (CID 107558300) is N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine is CCNCc1ccc(COc2cccnc2)s1.
What is the InChIKey of N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
The InChIKey is TYTMJLDWFQVUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-2-14-9-12-5-6-13(17-12)10-16-11-4-3-7-15-8-11/h3-8,14H,2,9-10H2,1H3.
What are the key properties of N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine?
N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine has a molecular weight of 248.35 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(pyridin-3-yloxymethyl)thiophen-2-yl]methyl]ethanamine is sourced from PubChem (CID 107558300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).