N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

C15H20N2OS — CID 75382765

IUPACN-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOc1cc(CNC(C)c2sccc2C)ccn1
InChIInChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3
InChIKeyJHNZYCWMJRDGGL-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.70
Rot. Bonds6

About N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine

N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 75382765) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID75382765
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC NameN-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOc1cc(CNC(C)c2sccc2C)ccn1
InChIInChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3
InChIKeyJHNZYCWMJRDGGL-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine (CID 75382765) is N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is CCOc1cc(CNC(C)c2sccc2C)ccn1.
What is the InChIKey of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is JHNZYCWMJRDGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-18-14-9-13(5-7-16-14)10-17-12(3)15-11(2)6-8-19-15/h5-9,12,17H,4,10H2,1-3H3.
What are the key properties of N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine?
N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 276.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-4-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 75382765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).