2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine

C16H21NOS — CID 102834053

IUPAC2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(NC)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-18-16(13-8-6-5-7-9-13)15(17-3)14-10-11-19-12(14)2/h5-11,15-17H,4H2,1-3H3
InChIKeyRSYKHQBPBSLQNR-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.09
Rot. Bonds6

About 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine

2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine (PubChem CID 102834053) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine
PubChem CID102834053
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine
SMILESCCOC(c1ccccc1)C(NC)c1ccsc1C
InChIInChI=1S/C16H21NOS/c1-4-18-16(13-8-6-5-7-9-13)15(17-3)14-10-11-19-12(14)2/h5-11,15-17H,4H2,1-3H3
InChIKeyRSYKHQBPBSLQNR-UHFFFAOYSA-N
XLogP4.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine?
The IUPAC name of 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine (CID 102834053) is 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine.
What is the SMILES notation for 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine?
The canonical SMILES for 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine is CCOC(c1ccccc1)C(NC)c1ccsc1C.
What is the InChIKey of 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine?
The InChIKey is RSYKHQBPBSLQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-18-16(13-8-6-5-7-9-13)15(17-3)14-10-11-19-12(14)2/h5-11,15-17H,4H2,1-3H3.
What are the key properties of 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine?
2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine has a molecular weight of 275.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-1-(2-methylthiophen-3-yl)-2-phenylethanamine is sourced from PubChem (CID 102834053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).