1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine

C13H20FNS — CID 114830832

IUPAC1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
SMILESCSCC(C)NC(C)Cc1ccccc1F
InChIInChI=1S/C13H20FNS/c1-10(15-11(2)9-16-3)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyANHVMYOFCKNXRQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.10
Rot. Bonds6

About 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine

1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine (PubChem CID 114830832) has the molecular formula C13H20FNS and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
PubChem CID114830832
Molecular FormulaC13H20FNS
Molecular Weight241.37 g/mol
Exact Mass241.13
IUPAC Name1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
SMILESCSCC(C)NC(C)Cc1ccccc1F
InChIInChI=1S/C13H20FNS/c1-10(15-11(2)9-16-3)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3
InChIKeyANHVMYOFCKNXRQ-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-fluorophenyl)propan-2-ylamino]butan-1-ol
CID 115976612
1-(2-methoxyphenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine
CID 115721693
1-(2-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]propan-2-amine
CID 114828278
N-[1-(2,5-difluorophenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828542
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)propan-2-amine
CID 114828627
N-[(1S)-1-cycloheptylethyl]-1-(2-fluorophenyl)propan-2-amine
CID 104979808
N-[1-(2-fluorophenyl)propan-2-yl]acetamide
CID 91692173
1-(2-fluorophenyl)-N-prop-2-enylpropan-2-amine
CID 114827813
3-[1-(2-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 114829727
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-[(2,3-difluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639847
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 113348121

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine (CID 114830832) is 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine is CSCC(C)NC(C)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
The InChIKey is ANHVMYOFCKNXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNS/c1-10(15-11(2)9-16-3)8-12-6-4-5-7-13(12)14/h4-7,10-11,15H,8-9H2,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine?
1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine has a molecular weight of 241.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-methylsulfanylpropan-2-yl)propan-2-amine is sourced from PubChem (CID 114830832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).