2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine

C16H18FNS — CID 79323518

IUPAC2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1ccc(-c2ccccc2F)s1)CN
InChIInChI=1S/C16H18FNS/c1-11(2)12(10-18)9-13-7-8-16(19-13)14-5-3-4-6-15(14)17/h3-9,11H,10,18H2,1-2H3
InChIKeyFZTOJUNGTSTPLO-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.55
Rot. Bonds4

About 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine

2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine (PubChem CID 79323518) has the molecular formula C16H18FNS and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine
PubChem CID79323518
Molecular FormulaC16H18FNS
Molecular Weight275.39 g/mol
Exact Mass275.11
IUPAC Name2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine
SMILESCC(C)C(=Cc1ccc(-c2ccccc2F)s1)CN
InChIInChI=1S/C16H18FNS/c1-11(2)12(10-18)9-13-7-8-16(19-13)14-5-3-4-6-15(14)17/h3-9,11H,10,18H2,1-2H3
InChIKeyFZTOJUNGTSTPLO-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine?
The IUPAC name of 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine (CID 79323518) is 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine?
The canonical SMILES for 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine is CC(C)C(=Cc1ccc(-c2ccccc2F)s1)CN.
What is the InChIKey of 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine?
The InChIKey is FZTOJUNGTSTPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNS/c1-11(2)12(10-18)9-13-7-8-16(19-13)14-5-3-4-6-15(14)17/h3-9,11H,10,18H2,1-2H3.
What are the key properties of 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine?
2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-3-methylbutan-1-amine is sourced from PubChem (CID 79323518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).