4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline

C14H14F3NOS — CID 61389455

IUPAC4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline
SMILESCCc1ccc(COc2ccc(N)cc2C(F)(F)F)s1
InChIInChI=1S/C14H14F3NOS/c1-2-10-4-5-11(20-10)8-19-13-6-3-9(18)7-12(13)14(15,16)17/h3-7H,2,8,18H2,1H3
InChIKeyMCYYJZIXGFEKGI-UHFFFAOYSA-N
MW301.33 g/mol
LogP4.49
Rot. Bonds4

About 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline

4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline (PubChem CID 61389455) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline
PubChem CID61389455
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline
SMILESCCc1ccc(COc2ccc(N)cc2C(F)(F)F)s1
InChIInChI=1S/C14H14F3NOS/c1-2-10-4-5-11(20-10)8-19-13-6-3-9(18)7-12(13)14(15,16)17/h3-7H,2,8,18H2,1H3
InChIKeyMCYYJZIXGFEKGI-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline?
The IUPAC name of 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline (CID 61389455) is 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline is CCc1ccc(COc2ccc(N)cc2C(F)(F)F)s1.
What is the InChIKey of 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline?
The InChIKey is MCYYJZIXGFEKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-2-10-4-5-11(20-10)8-19-13-6-3-9(18)7-12(13)14(15,16)17/h3-7H,2,8,18H2,1H3.
What are the key properties of 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline?
4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline has a molecular weight of 301.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethylthiophen-2-yl)methoxy]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 61389455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).