4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline

C12H11ClFNOS — CID 114415980

IUPAC4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline
SMILESCc1cc(OCc2ccc(Cl)s2)c(F)cc1N
InChIInChI=1S/C12H11ClFNOS/c1-7-4-11(9(14)5-10(7)15)16-6-8-2-3-12(13)17-8/h2-5H,6,15H2,1H3
InChIKeyLSVAIQSJABUYLT-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.01
Rot. Bonds3

About 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline

4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline (PubChem CID 114415980) has the molecular formula C12H11ClFNOS and a molecular weight of 271.74 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline
PubChem CID114415980
Molecular FormulaC12H11ClFNOS
Molecular Weight271.74 g/mol
Exact Mass271.02
IUPAC Name4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline
SMILESCc1cc(OCc2ccc(Cl)s2)c(F)cc1N
InChIInChI=1S/C12H11ClFNOS/c1-7-4-11(9(14)5-10(7)15)16-6-8-2-3-12(13)17-8/h2-5H,6,15H2,1H3
InChIKeyLSVAIQSJABUYLT-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.01
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

2-chloro-N-[2,5-difluoro-4-(2-fluoroethoxy)phenyl]-6,7-dihydro-1-benzothiophene-4-sulfonamide
CID 174341024
5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
CID 17374408
2-[(5-Chlorothiophen-2-yl)methoxy]-4-fluoroaniline
CID 28366744
4-[(5-Ethylthiophen-2-yl)methoxy]-3-fluoroaniline
CID 43259293
4-[(5-Chlorothiophen-2-yl)methoxy]-3-fluoroaniline
CID 43259300
3-Fluoro-4-(thiophen-3-ylmethoxy)aniline
CID 43646073
N-[(5-chlorothiophen-2-yl)methyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678082
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methoxy-2-(trifluoromethyl)aniline
CID 43678129
N-[4-ethoxy-2-(trifluoromethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 48385720
4-(Thiophen-2-ylmethoxy)-2-(trifluoromethyl)aniline
CID 54966555
4-[(5-Chlorothiophen-2-yl)methoxy]-2,5-difluoroaniline
CID 55217609
2,5-dichloro-N-(4-ethoxy-3-fluorophenyl)thiophene-3-sulfonamide
CID 60533459

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline (CID 114415980) is 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline is Cc1cc(OCc2ccc(Cl)s2)c(F)cc1N.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline?
The InChIKey is LSVAIQSJABUYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNOS/c1-7-4-11(9(14)5-10(7)15)16-6-8-2-3-12(13)17-8/h2-5H,6,15H2,1H3.
What are the key properties of 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline?
4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline has a molecular weight of 271.74 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methoxy]-5-fluoro-2-methylaniline is sourced from PubChem (CID 114415980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).