3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline

C18H16FNS — CID 141464990

IUPAC3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline
SMILESCc1cc(-c2cccc(N)c2C)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FNS/c1-11-10-17(15-4-3-5-16(20)12(15)2)21-18(11)13-6-8-14(19)9-7-13/h3-10H,20H2,1-2H3
InChIKeyIETPBQKHBWPEEK-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.42
Rot. Bonds2

About 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline

3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline (PubChem CID 141464990) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline
PubChem CID141464990
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline
SMILESCc1cc(-c2cccc(N)c2C)sc1-c1ccc(F)cc1
InChIInChI=1S/C18H16FNS/c1-11-10-17(15-4-3-5-16(20)12(15)2)21-18(11)13-6-8-14(19)9-7-13/h3-10H,20H2,1-2H3
InChIKeyIETPBQKHBWPEEK-UHFFFAOYSA-N
XLogP5.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline?
The IUPAC name of 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline (CID 141464990) is 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline.
What is the SMILES notation for 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline?
The canonical SMILES for 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline is Cc1cc(-c2cccc(N)c2C)sc1-c1ccc(F)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline?
The InChIKey is IETPBQKHBWPEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-11-10-17(15-4-3-5-16(20)12(15)2)21-18(11)13-6-8-14(19)9-7-13/h3-10H,20H2,1-2H3.
What are the key properties of 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline?
3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline has a molecular weight of 297.40 g/mol, XLogP of 5.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-2-methylaniline is sourced from PubChem (CID 141464990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).