N-methyl-2-phenoxy-1-thiophen-2-ylethanamine

C13H15NOS — CID 62715336

IUPACN-methyl-2-phenoxy-1-thiophen-2-ylethanamine
SMILESCNC(COc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NOS/c1-14-12(13-8-5-9-16-13)10-15-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3
InChIKeyAGRBVALCCROOLZ-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.09
Rot. Bonds5

About N-methyl-2-phenoxy-1-thiophen-2-ylethanamine

N-methyl-2-phenoxy-1-thiophen-2-ylethanamine (PubChem CID 62715336) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-2-phenoxy-1-thiophen-2-ylethanamine.

Molecular Properties

Compound NameN-methyl-2-phenoxy-1-thiophen-2-ylethanamine
PubChem CID62715336
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-methyl-2-phenoxy-1-thiophen-2-ylethanamine
SMILESCNC(COc1ccccc1)c1cccs1
InChIInChI=1S/C13H15NOS/c1-14-12(13-8-5-9-16-13)10-15-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3
InChIKeyAGRBVALCCROOLZ-UHFFFAOYSA-N
XLogP3.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
(2S)-1-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-3-phenoxypropan-2-ol
CID 2093744
4-phenoxy-1-thiophen-2-ylbutan-1-ol
CID 114990149
N-methyl-2-propan-2-ylsulfanyl-1-thiophen-2-ylethanamine
CID 65131483
3-(2,2-difluoroethoxy)-N-methyl-1-thiophen-2-ylpropan-1-amine
CID 103149216
2-(2-bromophenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 60818795
N-methyl-2-methylsulfonyl-1-thiophen-2-ylethanamine
CID 62473459
2-(2-bromo-5-methoxyphenyl)-N-methyl-1-thiophen-2-ylethanamine
CID 65325546
2-[2-(methylamino)-2-thiophen-2-ylethyl]aniline;dihydrochloride
CID 22414400
N-methyl-2-pyridin-4-yl-1-thiophen-2-ylethanamine
CID 62552109
1-(2-methoxy-4,6-dimethylphenyl)-N-methyl-2-phenoxyethanamine
CID 106680529
1-(2-cyclobutylphenyl)-N-methyl-2-phenoxyethanamine
CID 114602891

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-1-thiophen-2-ylethanamine?
The IUPAC name of N-methyl-2-phenoxy-1-thiophen-2-ylethanamine (CID 62715336) is N-methyl-2-phenoxy-1-thiophen-2-ylethanamine.
What is the SMILES notation for N-methyl-2-phenoxy-1-thiophen-2-ylethanamine?
The canonical SMILES for N-methyl-2-phenoxy-1-thiophen-2-ylethanamine is CNC(COc1ccccc1)c1cccs1.
What is the InChIKey of N-methyl-2-phenoxy-1-thiophen-2-ylethanamine?
The InChIKey is AGRBVALCCROOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-14-12(13-8-5-9-16-13)10-15-11-6-3-2-4-7-11/h2-9,12,14H,10H2,1H3.
What are the key properties of N-methyl-2-phenoxy-1-thiophen-2-ylethanamine?
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine has a molecular weight of 233.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-1-thiophen-2-ylethanamine is sourced from PubChem (CID 62715336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).