N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine

C15H18FNO2S — CID 100614726

IUPACN-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
SMILESCc1c(F)cccc1-c1ccc(CNCC[S@@](C)=O)o1
InChIInChI=1S/C15H18FNO2S/c1-11-13(4-3-5-14(11)16)15-7-6-12(19-15)10-17-8-9-20(2)18/h3-7,17H,8-10H2,1-2H3/t20-/m1/s1
InChIKeyAUDJRKHNIMEGNV-HXUWFJFHSA-N
MW295.38 g/mol
LogP2.86
Rot. Bonds6

About N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine

N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine (PubChem CID 100614726) has the molecular formula C15H18FNO2S and a molecular weight of 295.38 g/mol. Its IUPAC name is N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
PubChem CID100614726
Molecular FormulaC15H18FNO2S
Molecular Weight295.38 g/mol
Exact Mass295.10
IUPAC NameN-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine
SMILESCc1c(F)cccc1-c1ccc(CNCC[S@@](C)=O)o1
InChIInChI=1S/C15H18FNO2S/c1-11-13(4-3-5-14(11)16)15-7-6-12(19-15)10-17-8-9-20(2)18/h3-7,17H,8-10H2,1-2H3/t20-/m1/s1
InChIKeyAUDJRKHNIMEGNV-HXUWFJFHSA-N
XLogP2.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
CID 111579184
N-[(2,3-difluorophenyl)methyl]-2-methylsulfinylethanamine
CID 115632625
[5-[(2-methylsulfinylethylamino)methyl]furan-2-yl]methanol
CID 115654111
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
4,4-difluoro-2-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]-3-hydroxy-3-methylbutanoic acid
CID 167880385
2-[[5-(2-fluorophenyl)furan-2-yl]methylamino]ethanol;hydrochloride
CID 6464178
2-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 146123359
2-[3-[[5-(2-fluorophenyl)furan-2-yl]methylamino]propylamino]ethanol;dihydrochloride
CID 17214280
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-3-methoxypropan-1-amine
CID 17206989
2-[3-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methylamino]propylamino]ethanol
CID 17214305
N'-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]-N-methylpropane-1,3-diamine
CID 4724375
N',N'-diethyl-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]ethane-1,2-diamine;dihydrochloride
CID 17331952

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine?
The IUPAC name of N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine (CID 100614726) is N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine.
What is the SMILES notation for N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine?
The canonical SMILES for N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine is Cc1c(F)cccc1-c1ccc(CNCC[S@@](C)=O)o1.
What is the InChIKey of N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine?
The InChIKey is AUDJRKHNIMEGNV-HXUWFJFHSA-N. The full InChI is InChI=1S/C15H18FNO2S/c1-11-13(4-3-5-14(11)16)15-7-6-12(19-15)10-17-8-9-20(2)18/h3-7,17H,8-10H2,1-2H3/t20-/m1/s1.
What are the key properties of N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine?
N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methyl]-2-[(R)-methylsulfinyl]ethanamine is sourced from PubChem (CID 100614726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).