(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C18H20F3NO2S — CID 37302759

IUPAC(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO2S/c1-13(14-8-10-16(11-9-14)25(3,23)24)22(2)12-15-6-4-5-7-17(15)18(19,20)21/h4-11,13H,12H2,1-3H3/t13-/m1/s1
InChIKeyZVYVVVFQOBBBAH-CYBMUJFWSA-N
MW371.42 g/mol
LogP4.30
Rot. Bonds5

About (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 37302759) has the molecular formula C18H20F3NO2S and a molecular weight of 371.42 g/mol. Its IUPAC name is (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID37302759
Molecular FormulaC18H20F3NO2S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC Name(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESC[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C18H20F3NO2S/c1-13(14-8-10-16(11-9-14)25(3,23)24)22(2)12-15-6-4-5-7-17(15)18(19,20)21/h4-11,13H,12H2,1-3H3/t13-/m1/s1
InChIKeyZVYVVVFQOBBBAH-CYBMUJFWSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 78821261
N-methyl-1-(4-methylsulfonylphenyl)-N-(quinolin-8-ylmethyl)ethanamine
CID 46551770
N-[(4-bromophenyl)methyl]-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
CID 46551617
2-N-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine;hydrochloride
CID 119924718
4-[1-[(2-cyanophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 46615077
2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 24664974
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456996
N-methyl-3-methylsulfonyl-2-nitro-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 133393321
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
4-[1-[methyl(quinolin-8-ylmethyl)amino]ethyl]benzenesulfonamide
CID 42929119
4-[[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]methyl]benzamide
CID 37303014
(2S)-1-[[(2S)-2-hydroxypropyl]-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol
CID 30982171

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 37302759) is (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is ZVYVVVFQOBBBAH-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20F3NO2S/c1-13(14-8-10-16(11-9-14)25(3,23)24)22(2)12-15-6-4-5-7-17(15)18(19,20)21/h4-11,13H,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
(1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 371.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(4-methylsulfonylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 37302759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).