3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine

C8H12FNS — CID 166774753

IUPAC3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine
SMILESCNc1scc(C(C)C)c1F
InChIInChI=1S/C8H12FNS/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5,10H,1-3H3
InChIKeyGJAJOGATMBZLDA-UHFFFAOYSA-N
MW173.26 g/mol
LogP3.05
Rot. Bonds2

About 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine

3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine (PubChem CID 166774753) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine
PubChem CID166774753
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine
SMILESCNc1scc(C(C)C)c1F
InChIInChI=1S/C8H12FNS/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5,10H,1-3H3
InChIKeyGJAJOGATMBZLDA-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,5-trimethyl-N-(2-methylprop-1-enyl)thiophen-2-amine
CID 59936989
4-ethyl-N,3,5-trimethylthiophen-2-amine
CID 123363009
N-(3-propan-2-ylthiophen-2-yl)ethanethioamide
CID 134437612
N,4-dimethyl-3-pent-1-en-2-ylthiophen-2-amine
CID 137383112
N-(3-propan-2-ylthiophen-2-yl)methanethioamide
CID 164076904
N,5-dimethyl-3-propan-2-ylthiophen-2-amine
CID 170011413
3-ethyl-N,4-dimethylthiophen-2-amine
CID 142259236
3-[(E)-but-2-enyl]-N-methylthiophen-2-amine
CID 143892147
N,N,4-Triethyl-3-methyl-2-thiophenamine
CID 165357130
N-ethenyl-4-methyl-3-propylthiophen-2-amine
CID 171788938

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine?
The IUPAC name of 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine (CID 166774753) is 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine.
What is the SMILES notation for 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine?
The canonical SMILES for 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine is CNc1scc(C(C)C)c1F.
What is the InChIKey of 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine?
The InChIKey is GJAJOGATMBZLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-5(2)6-4-11-8(10-3)7(6)9/h4-5,10H,1-3H3.
What are the key properties of 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine?
3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine has a molecular weight of 173.26 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-propan-2-ylthiophen-2-amine is sourced from PubChem (CID 166774753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).