2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine

C14H22FNS — CID 103702098

IUPAC2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccccc1F)SC
InChIInChI=1S/C14H22FNS/c1-4-14(5-2,17-3)11-16-10-12-8-6-7-9-13(12)15/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyMNYYSDSUMUGGST-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.84
Rot. Bonds7

About 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine

2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine (PubChem CID 103702098) has the molecular formula C14H22FNS and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
PubChem CID103702098
Molecular FormulaC14H22FNS
Molecular Weight255.40 g/mol
Exact Mass255.15
IUPAC Name2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine
SMILESCCC(CC)(CNCc1ccccc1F)SC
InChIInChI=1S/C14H22FNS/c1-4-14(5-2,17-3)11-16-10-12-8-6-7-9-13(12)15/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyMNYYSDSUMUGGST-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,3-difluorophenyl)methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 113243609
2-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]-6-fluorophenol
CID 103948928
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethyl-2-methylsulfanylbutan-1-amine
CID 103702078
3-[[(2-ethyl-2-methylsulfanylbutyl)amino]methyl]benzene-1,2-diol
CID 113357920
N-[(2-fluorophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 61168585
2-ethyl-2-methylsulfanyl-N-[(2-prop-2-enoxyphenyl)methyl]butan-1-amine
CID 103702186
3-ethyl-3-[[(2-fluorophenyl)methylamino]methyl]pentan-1-ol
CID 111498765
2-ethyl-N-(1H-indol-4-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 103702107
N-ethyl-N'-[(2-fluorophenyl)methyl]ethane-1,2-diamine
CID 83962888
2-ethyl-N-(furan-2-ylmethyl)-2-methylsulfanylbutan-1-amine
CID 115656634
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
1-(4-fluorophenyl)-2-[(2-fluorophenyl)methylamino]-1-phenylethanol
CID 3844999

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine (CID 103702098) is 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine is CCC(CC)(CNCc1ccccc1F)SC.
What is the InChIKey of 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine?
The InChIKey is MNYYSDSUMUGGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNS/c1-4-14(5-2,17-3)11-16-10-12-8-6-7-9-13(12)15/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine?
2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-fluorophenyl)methyl]-2-methylsulfanylbutan-1-amine is sourced from PubChem (CID 103702098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).