2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine

C10H13F2NS — CID 117309703

IUPAC2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cc(F)cc(C(C)CN)c1F
InChIInChI=1S/C10H13F2NS/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyXXTMXSBUEQWJKV-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine

2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine (PubChem CID 117309703) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
PubChem CID117309703
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine
SMILESCSc1cc(F)cc(C(C)CN)c1F
InChIInChI=1S/C10H13F2NS/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3
InChIKeyXXTMXSBUEQWJKV-UHFFFAOYSA-N
XLogP2.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,5-trifluorophenyl)propan-1-amine
CID 115113253
2-(2,5-difluoro-3-methoxyphenyl)propan-1-amine
CID 117290018
2-[4-methyl-2,5-bis(methylsulfanyl)phenyl]propan-1-amine
CID 117355953
(2,5-difluoro-3-methylsulfanylphenyl)methanamine
CID 117281490
2-(2,5-difluoro-3-methylsulfanylphenyl)propanoic acid
CID 117336105
2-(3,5-difluoro-2-methoxyphenyl)propan-1-amine
CID 83880858
2-(3,5-difluoro-2-propan-2-yloxyphenyl)propan-1-amine
CID 83893597
2-(3-chloro-2-ethoxy-5-fluorophenyl)propan-1-amine
CID 83895005
2-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 117351497
2-(2-chloro-4-fluorophenyl)propan-1-amine
CID 66438470
6-(1-aminopropan-2-yl)-2-fluoro-3-methylphenol
CID 117279608
2-[3,4,5-tris(methylsulfanyl)phenyl]propan-1-amine
CID 117436822

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine (CID 117309703) is 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine is CSc1cc(F)cc(C(C)CN)c1F.
What is the InChIKey of 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine?
The InChIKey is XXTMXSBUEQWJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-6(5-13)8-3-7(11)4-9(14-2)10(8)12/h3-4,6H,5,13H2,1-2H3.
What are the key properties of 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine?
2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine has a molecular weight of 217.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 117309703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).