N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine

C16H21NOS — CID 116773182

IUPACN-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
SMILESCCNC(c1ccc(C)s1)C(OC)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-4-17-15(14-11-10-12(2)19-14)16(18-3)13-8-6-5-7-9-13/h5-11,15-17H,4H2,1-3H3
InChIKeyAKXWDTSQMXNSQY-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine

N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine (PubChem CID 116773182) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
PubChem CID116773182
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine
SMILESCCNC(c1ccc(C)s1)C(OC)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-4-17-15(14-11-10-12(2)19-14)16(18-3)13-8-6-5-7-9-13/h5-11,15-17H,4H2,1-3H3
InChIKeyAKXWDTSQMXNSQY-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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Related Compounds

N-[1-(5-chlorothiophen-2-yl)-2-methoxy-2-phenylethyl]propan-1-amine
CID 116773278
N-ethyl-1-(2-fluorophenyl)-2-methoxy-2-phenylethanamine
CID 116773160
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773064
2-cyclohexyl-N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)ethanamine
CID 116771802
N-ethyl-2-methoxy-1-(4-methyl-3-pyridinyl)-2-phenylethanamine
CID 116773113
1-(3,4-difluorophenyl)-N-ethyl-2-methoxy-2-phenylethanamine
CID 116773143
N-ethyl-2-methoxy-2-phenyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 116773141
N-ethyl-2-methoxy-1-(1-methylpyrazol-4-yl)-2-phenylethanamine
CID 116773030
N-ethyl-1-(5-methylthiophen-2-yl)ethanamine
CID 24705103
N-[[2-(2-methoxyethoxy)phenyl]-(5-methylthiophen-2-yl)methyl]ethanamine
CID 105035372
N,3-diethyl-1-(5-methylthiophen-2-yl)pentan-1-amine
CID 105028432
N-ethyl-1-methoxy-1-phenyl-3-thiophen-3-ylpropan-2-amine
CID 116773126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine?
The IUPAC name of N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine (CID 116773182) is N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine.
What is the SMILES notation for N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine?
The canonical SMILES for N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine is CCNC(c1ccc(C)s1)C(OC)c1ccccc1.
What is the InChIKey of N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine?
The InChIKey is AKXWDTSQMXNSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-4-17-15(14-11-10-12(2)19-14)16(18-3)13-8-6-5-7-9-13/h5-11,15-17H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine?
N-ethyl-2-methoxy-1-(5-methylthiophen-2-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 N-ethyl-2-methoxy-1-(5-methylthiophen-2-yl)-2-phenylethanamine is sourced from PubChem (CID 116773182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).