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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Related Compounds

[2,2-difluoro-1-(5-methylthiophen-2-yl)propyl]hydrazine
CID 130691531
1-N,2-N,2-N,2-tetramethyl-1-(5-methylthiophen-2-yl)propane-1,2-diamine
CID 79053612
2,3,3-trimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 83141831
N,2-dimethyl-1-(5-methylthiophen-2-yl)propan-1-amine
CID 43480389
2,2,2-trifluoro-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 24696263
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 81276459
3,3-dimethyl-N-[1-(5-methylthiophen-2-yl)ethyl]butan-1-amine
CID 61473830
N-methyl-1-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207180
1-(5-bromothiophen-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 43480371
N,3-dimethyl-2-(5-methylthiophen-2-yl)butan-1-amine
CID 83831442
(1S,2R)-1-amino-1-(5-methylthiophen-2-yl)propan-2-ol
CID 130969879
N-methyl-1-(5-methylthiophen-2-yl)-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 105162186

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).