N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine

C20H22N2O2S — CID 16766309

IUPACN-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1cccc(CNCc2cccnc2)c1OCc1cccs1
InChIInChI=1S/C20H22N2O2S/c1-2-23-19-9-3-7-17(14-22-13-16-6-4-10-21-12-16)20(19)24-15-18-8-5-11-25-18/h3-12,22H,2,13-15H2,1H3
InChIKeyITFVFUULKMTVSG-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.41
Rot. Bonds9

About N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine

N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 16766309) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID16766309
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine
SMILESCCOc1cccc(CNCc2cccnc2)c1OCc1cccs1
InChIInChI=1S/C20H22N2O2S/c1-2-23-19-9-3-7-17(14-22-13-16-6-4-10-21-12-16)20(19)24-15-18-8-5-11-25-18/h3-12,22H,2,13-15H2,1H3
InChIKeyITFVFUULKMTVSG-UHFFFAOYSA-N
XLogP4.41
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine (CID 16766309) is N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine is CCOc1cccc(CNCc2cccnc2)c1OCc1cccs1.
What is the InChIKey of N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is ITFVFUULKMTVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-2-23-19-9-3-7-17(14-22-13-16-6-4-10-21-12-16)20(19)24-15-18-8-5-11-25-18/h3-12,22H,2,13-15H2,1H3.
What are the key properties of N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine?
N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 354.48 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethoxy-2-(thiophen-2-ylmethoxy)phenyl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 16766309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).