N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine

C14H17NOS — CID 135056293

IUPACN-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCN(CCOc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H17NOS/c1-15(12-14-8-5-11-17-14)9-10-16-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3
InChIKeyFARODSAULNBVPW-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.26
Rot. Bonds6

About N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine

N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine (PubChem CID 135056293) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine
PubChem CID135056293
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC NameN-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine
SMILESCN(CCOc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H17NOS/c1-15(12-14-8-5-11-17-14)9-10-16-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3
InChIKeyFARODSAULNBVPW-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine (CID 135056293) is N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine is CN(CCOc1ccccc1)Cc1cccs1.
What is the InChIKey of N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine?
The InChIKey is FARODSAULNBVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-15(12-14-8-5-11-17-14)9-10-16-13-6-3-2-4-7-13/h2-8,11H,9-10,12H2,1H3.
What are the key properties of N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine?
N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine has a molecular weight of 247.36 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-phenoxy-N-(thiophen-2-ylmethyl)ethanamine is sourced from PubChem (CID 135056293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).