1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine

C10H16FNS — CID 130589701

IUPAC1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCNC(C)(C)C(F)c1ccc(C)s1
InChIInChI=1S/C10H16FNS/c1-7-5-6-8(13-7)9(11)10(2,3)12-4/h5-6,9,12H,1-4H3
InChIKeyORNBSDVGJMKYHJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.07
Rot. Bonds3

About 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine

1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine (PubChem CID 130589701) has the molecular formula C10H16FNS and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine
PubChem CID130589701
Molecular FormulaC10H16FNS
Molecular Weight201.31 g/mol
Exact Mass201.10
IUPAC Name1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine
SMILESCNC(C)(C)C(F)c1ccc(C)s1
InChIInChI=1S/C10H16FNS/c1-7-5-6-8(13-7)9(11)10(2,3)12-4/h5-6,9,12H,1-4H3
InChIKeyORNBSDVGJMKYHJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The IUPAC name of 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine (CID 130589701) is 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine is CNC(C)(C)C(F)c1ccc(C)s1.
What is the InChIKey of 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine?
The InChIKey is ORNBSDVGJMKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNS/c1-7-5-6-8(13-7)9(11)10(2,3)12-4/h5-6,9,12H,1-4H3.
What are the key properties of 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine?
1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine has a molecular weight of 201.31 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-2-amine is sourced from PubChem (CID 130589701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).