N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline

C13H15NOS — CID 57258265

IUPACN-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline
SMILESCNc1cccc(OCc2sccc2C)c1
InChIInChI=1S/C13H15NOS/c1-10-6-7-16-13(10)9-15-12-5-3-4-11(8-12)14-2/h3-8,14H,9H2,1-2H3
InChIKeyGCANWMMKJYJVBK-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.68
Rot. Bonds4

About N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline

N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline (PubChem CID 57258265) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline.

Molecular Properties

Compound NameN-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline
PubChem CID57258265
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC NameN-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline
SMILESCNc1cccc(OCc2sccc2C)c1
InChIInChI=1S/C13H15NOS/c1-10-6-7-16-13(10)9-15-12-5-3-4-11(8-12)14-2/h3-8,14H,9H2,1-2H3
InChIKeyGCANWMMKJYJVBK-UHFFFAOYSA-N
XLogP3.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline?
The IUPAC name of N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline (CID 57258265) is N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline.
What is the SMILES notation for N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline?
The canonical SMILES for N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline is CNc1cccc(OCc2sccc2C)c1.
What is the InChIKey of N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline?
The InChIKey is GCANWMMKJYJVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-6-7-16-13(10)9-15-12-5-3-4-11(8-12)14-2/h3-8,14H,9H2,1-2H3.
What are the key properties of N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline?
N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline has a molecular weight of 233.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[(3-methylthiophen-2-yl)methoxy]aniline is sourced from PubChem (CID 57258265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).