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

C16H21NOS — CID 103902288

IUPAC2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NC(C)c1ccc(C)s1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-12-9-10-16(19-12)13(2)17-15(11-18-3)14-7-5-4-6-8-14/h4-10,13,15,17H,11H2,1-3H3
InChIKeyJQPCWXHPAHTBNB-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.09
Rot. Bonds6

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

2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine (PubChem CID 103902288) has the molecular formula C16H21NOS and a molecular weight of 275.42 g/mol. Its IUPAC name is 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine.

Molecular Properties

Compound Name2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
PubChem CID103902288
Molecular FormulaC16H21NOS
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC Name2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
SMILESCOCC(NC(C)c1ccc(C)s1)c1ccccc1
InChIInChI=1S/C16H21NOS/c1-12-9-10-16(19-12)13(2)17-15(11-18-3)14-7-5-4-6-8-14/h4-10,13,15,17H,11H2,1-3H3
InChIKeyJQPCWXHPAHTBNB-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

2-methoxy-N-[(1R)-1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 103464451
(1S)-2-(4-methylpiperazin-1-yl)-N-[(1R)-1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine
CID 97231422
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902285
4-methoxy-3-[1-(5-methylthiophen-2-yl)ethylamino]butan-1-ol
CID 115722580
N-[(1R)-1-(3-bromophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103464457
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
(1R)-1-(3-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81376210
N-(2-methoxy-1-phenylethyl)-1-phenylbutan-1-amine
CID 103902246
(2S)-2-[[(1R)-2-methoxy-1-phenylethyl]amino]-3-methylbutan-1-ol
CID 101092421
1-(2-methoxyphenyl)-N-[1-(5-methylthiophen-2-yl)ethyl]propan-2-amine
CID 60936055
3-[1-(5-methylthiophen-2-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 43727716
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-phenylbutan-1-amine
CID 43692482

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine?
The IUPAC name of 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine (CID 103902288) is 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine.
What is the SMILES notation for 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine?
The canonical SMILES for 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine is COCC(NC(C)c1ccc(C)s1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine?
The InChIKey is JQPCWXHPAHTBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NOS/c1-12-9-10-16(19-12)13(2)17-15(11-18-3)14-7-5-4-6-8-14/h4-10,13,15,17H,11H2,1-3H3.
What are the key properties of 2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine?
2-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-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-methoxy-N-[1-(5-methylthiophen-2-yl)ethyl]-1-phenylethanamine is sourced from PubChem (CID 103902288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).