2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine

C10H14FNS — CID 117288826

IUPAC2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cccc(F)c1C(C)(C)N
InChIInChI=1S/C10H14FNS/c1-10(2,12)9-7(11)5-4-6-8(9)13-3/h4-6H,12H2,1-3H3
InChIKeyJODMGIPBJLVFRK-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.74
Rot. Bonds2

About 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine

2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine (PubChem CID 117288826) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
PubChem CID117288826
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine
SMILESCSc1cccc(F)c1C(C)(C)N
InChIInChI=1S/C10H14FNS/c1-10(2,12)9-7(11)5-4-6-8(9)13-3/h4-6H,12H2,1-3H3
InChIKeyJODMGIPBJLVFRK-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoro-6-methylphenyl)ethane-1,1-diamine
CID 68737589
ethane;1-fluoro-2-methylsulfanylbenzene
CID 143031250
2-(2-fluoro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 117318641
1-fluoro-2-iodo-3-methylsulfanylbenzene
CID 91881041
1-(2-fluoro-6-methylsulfanylphenyl)cyclopentan-1-amine
CID 117324173
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol
CID 90308192
2-amino-2-(2-fluoro-6-methylphenyl)propan-1-ol
CID 55294765
N-(2-fluorophenyl)sulfanyl-2-methylpropan-2-amine
CID 145089031
5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
CID 117321679
1-(2,6-difluoro-3-methylphenyl)-1-(2-fluorophenyl)ethanamine
CID 82819787
(2S)-2-amino-2-(2-methylsulfanylphenyl)propan-1-ol
CID 55276084

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine?
The IUPAC name of 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine (CID 117288826) is 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine is CSc1cccc(F)c1C(C)(C)N.
What is the InChIKey of 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine?
The InChIKey is JODMGIPBJLVFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-10(2,12)9-7(11)5-4-6-8(9)13-3/h4-6H,12H2,1-3H3.
What are the key properties of 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine?
2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 117288826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).