2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine

C8H12FNS — CID 112565165

IUPAC2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1C(C)(F)CN
InChIInChI=1S/C8H12FNS/c1-6-3-4-11-7(6)8(2,9)5-10/h3-4H,5,10H2,1-2H3
InChIKeyYVTYOIDBYRUQTD-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.20
Rot. Bonds2

About 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine

2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 112565165) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID112565165
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1C(C)(F)CN
InChIInChI=1S/C8H12FNS/c1-6-3-4-11-7(6)8(2,9)5-10/h3-4H,5,10H2,1-2H3
InChIKeyYVTYOIDBYRUQTD-UHFFFAOYSA-N
XLogP2.20
TPSA26.02 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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Thiopheneethanamine
CID 116521
2-(3-Thienyl)ethanamine
CID 12258737
[1-(Thiophen-2-yl)cyclohexyl]methanamine
CID 16494915
(1-(Thiophen-2-yl)cyclopentyl)methanamine
CID 16495144
(3-Methylthiophen-2-yl)methanamine
CID 2798756
2-(Thiophen-2-yl)ethan-1-amine Hydroiodide
CID 171935015
(4-Methylthiophen-2-yl)methanamine
CID 2795528
(2,5-Dimethylthiophen-3-yl)methanamine
CID 46784114
1-(Thiophen-3-yl)propan-2-amine
CID 13188564
2-(2-Thienyl)allylamine
CID 127374
N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 961382
(4-Fluorophenyl)(thiophen-2-yl)methanamine
CID 4962648

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine (CID 112565165) is 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1C(C)(F)CN.
What is the InChIKey of 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is YVTYOIDBYRUQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-6-3-4-11-7(6)8(2,9)5-10/h3-4H,5,10H2,1-2H3.
What are the key properties of 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine?
2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 112565165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).