1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

C13H20FNS — CID 65135054

IUPAC1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNS/c1-10(2)8-16-9-13(15)7-11-4-3-5-12(14)6-11/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyCTGBSRACNPIYBG-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.08
Rot. Bonds6

About 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine

1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (PubChem CID 65135054) has the molecular formula C13H20FNS and a molecular weight of 241.38 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
PubChem CID65135054
Molecular FormulaC13H20FNS
Molecular Weight241.38 g/mol
Exact Mass241.13
IUPAC Name1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
SMILESCC(C)CSCC(N)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNS/c1-10(2)8-16-9-13(15)7-11-4-3-5-12(14)6-11/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyCTGBSRACNPIYBG-UHFFFAOYSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135077
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
1-(3-fluoro-4-methoxyphenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135677
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
(2R)-2-amino-3-[(3-fluorophenyl)methylsulfanyl]propan-1-ol
CID 54404619
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-(3-fluorophenyl)-3-methoxybutan-2-amine
CID 79615959

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine (CID 65135054) is 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is CC(C)CSCC(N)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
The InChIKey is CTGBSRACNPIYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-10(2)8-16-9-13(15)7-11-4-3-5-12(14)6-11/h3-6,10,13H,7-9,15H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine?
1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine has a molecular weight of 241.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine is sourced from PubChem (CID 65135054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).