2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine

C11H16FNS — CID 105425831

IUPAC2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
SMILESCC(C)Sc1ccc(C(F)CN)cc1
InChIInChI=1S/C11H16FNS/c1-8(2)14-10-5-3-9(4-6-10)11(12)7-13/h3-6,8,11H,7,13H2,1-2H3
InChIKeyWEBGSBADCVEFQV-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.16
Rot. Bonds4

About 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine

2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine (PubChem CID 105425831) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
PubChem CID105425831
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
SMILESCC(C)Sc1ccc(C(F)CN)cc1
InChIInChI=1S/C11H16FNS/c1-8(2)14-10-5-3-9(4-6-10)11(12)7-13/h3-6,8,11H,7,13H2,1-2H3
InChIKeyWEBGSBADCVEFQV-UHFFFAOYSA-N
XLogP3.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
4-[(1R)-2-amino-1-fluoroethyl]aniline
CID 124660461
(2S)-2-(4-ethylphenyl)-2-fluoroethanamine
CID 129393037
2-methyl-3-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 116924750
2-chloro-1-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 116937585
(1S)-1-(4-propan-2-ylsulfanylphenyl)ethanol
CID 78951591
2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186
1-(4-propan-2-ylsulfanylphenyl)ethylhydrazine
CID 82470792
2,2-dimethyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116934511
N-methyl-1-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 116949337
2,3-diamino-3-(4-propan-2-ylsulfanylphenyl)propanoic acid
CID 116942259
2-amino-1-(4-propan-2-ylphenyl)sulfanylethanol
CID 117034672

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The IUPAC name of 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine (CID 105425831) is 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine is CC(C)Sc1ccc(C(F)CN)cc1.
What is the InChIKey of 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine?
The InChIKey is WEBGSBADCVEFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8(2)14-10-5-3-9(4-6-10)11(12)7-13/h3-6,8,11H,7,13H2,1-2H3.
What are the key properties of 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine?
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine has a molecular weight of 213.32 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105425831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).