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

C19H18FNS — CID 174617937

IUPAC3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline
SMILESCc1ccc(N)cc1CCc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNS/c1-13-2-8-17(21)12-15(13)5-9-18-10-11-19(22-18)14-3-6-16(20)7-4-14/h2-4,6-8,10-12H,5,9,21H2,1H3
InChIKeyAOVMRYOZJULTDL-UHFFFAOYSA-N
MW311.43 g/mol
LogP5.23
Rot. Bonds4

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

3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline (PubChem CID 174617937) has the molecular formula C19H18FNS and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline.

Molecular Properties

Compound Name3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline
PubChem CID174617937
Molecular FormulaC19H18FNS
Molecular Weight311.43 g/mol
Exact Mass311.11
IUPAC Name3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline
SMILESCc1ccc(N)cc1CCc1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C19H18FNS/c1-13-2-8-17(21)12-15(13)5-9-18-10-11-19(22-18)14-3-6-16(20)7-4-14/h2-4,6-8,10-12H,5,9,21H2,1H3
InChIKeyAOVMRYOZJULTDL-UHFFFAOYSA-N
XLogP5.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 55.23
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-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline?
The IUPAC name of 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline (CID 174617937) is 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline.
What is the SMILES notation for 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline?
The canonical SMILES for 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline is Cc1ccc(N)cc1CCc1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline?
The InChIKey is AOVMRYOZJULTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNS/c1-13-2-8-17(21)12-15(13)5-9-18-10-11-19(22-18)14-3-6-16(20)7-4-14/h2-4,6-8,10-12H,5,9,21H2,1H3.
What are the key properties of 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline?
3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline has a molecular weight of 311.43 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-(4-fluorophenyl)thiophen-2-yl]ethyl]-4-methylaniline is sourced from PubChem (CID 174617937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).