1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C14H20F4N2OS — CID 136574533

IUPAC1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCSc1cccc(F)c1CNCC(O)CN(C)CC(F)(F)F
InChIInChI=1S/C14H20F4N2OS/c1-20(9-14(16,17)18)8-10(21)6-19-7-11-12(15)4-3-5-13(11)22-2/h3-5,10,19,21H,6-9H2,1-2H3
InChIKeyVDGIQVFREXDBCT-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.49
Rot. Bonds8

About 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 136574533) has the molecular formula C14H20F4N2OS and a molecular weight of 340.39 g/mol. Its IUPAC name is 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID136574533
Molecular FormulaC14H20F4N2OS
Molecular Weight340.39 g/mol
Exact Mass340.12
IUPAC Name1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCSc1cccc(F)c1CNCC(O)CN(C)CC(F)(F)F
InChIInChI=1S/C14H20F4N2OS/c1-20(9-14(16,17)18)8-10(21)6-19-7-11-12(15)4-3-5-13(11)22-2/h3-5,10,19,21H,6-9H2,1-2H3
InChIKeyVDGIQVFREXDBCT-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol with MolForge

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Related Compounds

3-[3-fluoro-2-[(2-methylpropylamino)methyl]phenyl]sulfanylpropan-1-ol
CID 114066348
1-N-[(2,6-difluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61043808
N-[(2-fluoro-6-propylsulfanylphenyl)methyl]-2-methylpropan-1-amine
CID 114066197
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
(2R)-1-[methyl(2,2,2-trifluoroethyl)amino]-3-phenylmethoxypropan-2-ol
CID 95356220
1-[(2,6-dimethylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 103908815
1-(dimethylamino)-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644664
1-(dimethylamino)-3-[[5-(3-fluoro-2-methylphenyl)furan-2-yl]methylamino]propan-2-ol
CID 111579184
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
1-(2,3-difluorophenyl)-3-[methyl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 114059454
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
2-fluoro-6-[(2-hydroxypentylamino)methyl]phenol
CID 115972498

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 136574533) is 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is CSc1cccc(F)c1CNCC(O)CN(C)CC(F)(F)F.
What is the InChIKey of 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is VDGIQVFREXDBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F4N2OS/c1-20(9-14(16,17)18)8-10(21)6-19-7-11-12(15)4-3-5-13(11)22-2/h3-5,10,19,21H,6-9H2,1-2H3.
What are the key properties of 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 340.39 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-6-methylsulfanylphenyl)methylamino]-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 136574533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).