N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine

C12H17F2NO2S — CID 115763988

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1ccccc1OC(F)F)S(C)=O
InChIInChI=1S/C12H17F2NO2S/c1-9(18(2)16)7-15-8-10-5-3-4-6-11(10)17-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyNAUKXPDYDPFZFD-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.14
Rot. Bonds7

About N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine (PubChem CID 115763988) has the molecular formula C12H17F2NO2S and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
PubChem CID115763988
Molecular FormulaC12H17F2NO2S
Molecular Weight277.34 g/mol
Exact Mass277.09
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine
SMILESCC(CNCc1ccccc1OC(F)F)S(C)=O
InChIInChI=1S/C12H17F2NO2S/c1-9(18(2)16)7-15-8-10-5-3-4-6-11(10)17-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyNAUKXPDYDPFZFD-UHFFFAOYSA-N
XLogP2.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[2-(difluoromethoxy)phenyl]methylamino]propan-2-ol
CID 93033134
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
1-N-[[2-(difluoromethoxy)phenyl]methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54912949
N-[[2-(difluoromethoxy)phenyl]methyl]-2-ethoxypropan-1-amine
CID 115655473
2-methoxy-6-[(2-methylsulfinylpropylamino)methyl]phenol
CID 115764164
N-[2-[[2-(difluoromethoxy)phenyl]methylamino]ethyl]-2-methylpropanamide
CID 28651324
1-[2-(difluoromethoxy)phenyl]-N-[(2,3-dimethylphenyl)methyl]methanamine
CID 60711287
1-[[2-(difluoromethoxy)phenyl]methylamino]-4-methylpentan-3-ol
CID 111468040
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
N-[[2-(difluoromethoxy)phenyl]methyl]butan-2-amine
CID 43177333
2-N-[[2-(difluoromethoxy)phenyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945962
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine (CID 115763988) is N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine is CC(CNCc1ccccc1OC(F)F)S(C)=O.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
The InChIKey is NAUKXPDYDPFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO2S/c1-9(18(2)16)7-15-8-10-5-3-4-6-11(10)17-12(13)14/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine has a molecular weight of 277.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylsulfinylpropan-1-amine is sourced from PubChem (CID 115763988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).