2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline

C13H15NOS — CID 60932472

IUPAC2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1cc(C)ccc1NCc1cccs1
InChIInChI=1S/C13H15NOS/c1-10-5-6-12(13(8-10)15-2)14-9-11-4-3-7-16-11/h3-8,14H,9H2,1-2H3
InChIKeyHGEHNQIXIFVHMY-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.68
Rot. Bonds4

About 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline

2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline (PubChem CID 60932472) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
PubChem CID60932472
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline
SMILESCOc1cc(C)ccc1NCc1cccs1
InChIInChI=1S/C13H15NOS/c1-10-5-6-12(13(8-10)15-2)14-9-11-4-3-7-16-11/h3-8,14H,9H2,1-2H3
InChIKeyHGEHNQIXIFVHMY-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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Related Compounds

N-benzyl-2-methoxy-4-methylaniline
CID 54865649
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
5-[(2-methoxy-4-methylanilino)methyl]thiophene-3-carbonitrile
CID 79614375
2-methoxy-4-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865901
4-methoxy-3-methyl-N-(thiophen-2-ylmethyl)aniline
CID 61059321
6-methoxy-2-methyl-N-(thiophen-2-ylmethyl)pyridin-3-amine
CID 115748960
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474
2-methoxy-4-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 54865790
4-fluoro-2-methoxy-N-(2-thiophen-2-ylethyl)aniline
CID 63774739
N-[(3,5-difluorophenyl)methyl]-2-methoxy-4-methylaniline
CID 103852096
4-iodo-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 43227956
N-[(4-tert-butylphenyl)methyl]-2-methoxy-4-methylaniline
CID 63451276

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The IUPAC name of 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline (CID 60932472) is 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline.
What is the SMILES notation for 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The canonical SMILES for 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline is COc1cc(C)ccc1NCc1cccs1.
What is the InChIKey of 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline?
The InChIKey is HGEHNQIXIFVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-10-5-6-12(13(8-10)15-2)14-9-11-4-3-7-16-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline?
2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)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 2-methoxy-4-methyl-N-(thiophen-2-ylmethyl)aniline is sourced from PubChem (CID 60932472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).