2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline

C14H17NOS — CID 54864631

IUPAC2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCOc1cc(C)ccc1NCc1ccsc1
InChIInChI=1S/C14H17NOS/c1-3-16-14-8-11(2)4-5-13(14)15-9-12-6-7-17-10-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyOEUAAICQUDRZSU-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.07
Rot. Bonds5

About 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline

2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 54864631) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID54864631
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline
SMILESCCOc1cc(C)ccc1NCc1ccsc1
InChIInChI=1S/C14H17NOS/c1-3-16-14-8-11(2)4-5-13(14)15-9-12-6-7-17-10-12/h4-8,10,15H,3,9H2,1-2H3
InChIKeyOEUAAICQUDRZSU-UHFFFAOYSA-N
XLogP4.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-2-ethoxy-4-methylaniline
CID 106528416
3-[(2-ethoxy-4-methylanilino)methyl]phenol
CID 54864734
2-ethoxy-4-methyl-N-[(6-methyl-3-pyridinyl)methyl]aniline
CID 104756640
N-[(3-bromo-4-methylphenyl)methyl]-2-ethoxy-4-methylaniline
CID 105401396
N-[(3-bromothiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 115380178
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
2-ethoxy-4-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 87029742
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-ethoxy-4-methylaniline
CID 102834467
N-[2-[(2-ethoxy-4-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66385169
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-2-ethoxy-4-methylaniline
CID 63120648
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
CID 79612321

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline (CID 54864631) is 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline is CCOc1cc(C)ccc1NCc1ccsc1.
What is the InChIKey of 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is OEUAAICQUDRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-16-14-8-11(2)4-5-13(14)15-9-12-6-7-17-10-12/h4-8,10,15H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline?
2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 247.36 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-methyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 54864631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).