2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline

C14H17NOS — CID 61312810

IUPAC2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
SMILESCCc1ccc(COc2ccc(C)cc2N)s1
InChIInChI=1S/C14H17NOS/c1-3-11-5-6-12(17-11)9-16-14-7-4-10(2)8-13(14)15/h4-8H,3,9,15H2,1-2H3
InChIKeyPDUBNEAUZXLSCR-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.78
Rot. Bonds4

About 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline

2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline (PubChem CID 61312810) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline.

Molecular Properties

Compound Name2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
PubChem CID61312810
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline
SMILESCCc1ccc(COc2ccc(C)cc2N)s1
InChIInChI=1S/C14H17NOS/c1-3-11-5-6-12(17-11)9-16-14-7-4-10(2)8-13(14)15/h4-8H,3,9,15H2,1-2H3
InChIKeyPDUBNEAUZXLSCR-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(5-ethylthiophen-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640101
4-amino-3-[(5-ethylthiophen-2-yl)methoxy]benzoic acid
CID 43379865
[3-ethoxy-4-[(5-ethylthiophen-2-yl)methoxy]phenyl]methanamine
CID 60879995
[4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorophenyl]methanamine
CID 107686357
2-[(2-chloro-4-methylphenyl)methoxy]-5-methylaniline
CID 106861432
5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]benzenecarbothioamide
CID 83145832
(1S)-1-[5-bromo-2-[(5-ethylthiophen-2-yl)methoxy]phenyl]ethanamine
CID 78937365
[3-[(5-ethylthiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79168779
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[(2-fluorophenyl)methoxy]-5-methylaniline
CID 39247930
4-[(5-ethylthiophen-2-yl)methoxy]-3-fluorobenzonitrile
CID 107670432
2-[2-[(2-amino-4-methylphenoxy)methyl]prop-2-enoxy]-5-methylaniline
CID 11014135

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline?
The IUPAC name of 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline (CID 61312810) is 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline.
What is the SMILES notation for 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline?
The canonical SMILES for 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline is CCc1ccc(COc2ccc(C)cc2N)s1.
What is the InChIKey of 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline?
The InChIKey is PDUBNEAUZXLSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-11-5-6-12(17-11)9-16-14-7-4-10(2)8-13(14)15/h4-8H,3,9,15H2,1-2H3.
What are the key properties of 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline?
2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline has a molecular weight of 247.36 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethylthiophen-2-yl)methoxy]-5-methylaniline is sourced from PubChem (CID 61312810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).