2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine

C12H16F3NO2S — CID 115850671

IUPAC2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)(C(N)c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F3NO2S/c1-11(2,19(3,17)18)10(16)8-5-4-6-9(7-8)12(13,14)15/h4-7,10H,16H2,1-3H3
InChIKeyRWAQPELBSAPQCZ-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.53
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine

2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 115850671) has the molecular formula C12H16F3NO2S and a molecular weight of 295.33 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID115850671
Molecular FormulaC12H16F3NO2S
Molecular Weight295.33 g/mol
Exact Mass295.09
IUPAC Name2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCC(C)(C(N)c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C12H16F3NO2S/c1-11(2,19(3,17)18)10(16)8-5-4-6-9(7-8)12(13,14)15/h4-7,10H,16H2,1-3H3
InChIKeyRWAQPELBSAPQCZ-UHFFFAOYSA-N
XLogP2.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,2-N,2-trimethyl-1-[3-(trifluoromethyl)phenyl]propane-1,2-diamine
CID 79054171
N-ethyl-2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 115850631
(1S)-2,2,3,3,3-pentafluoro-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 171311708
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
(4S)-4-[3-(trifluoromethyl)phenyl]pentane-2-sulfonamide
CID 164942055
2-amino-N,N-dimethyl-2-[3-(trifluoromethyl)phenyl]ethanesulfonamide;hydrochloride
CID 130332257
[3,3-dimethyl-2-[3-(trifluoromethyl)phenyl]butyl] sulfamate
CID 173006917
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
O-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 10899748
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
N',N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 171035691

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine (CID 115850671) is 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is CC(C)(C(N)c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is RWAQPELBSAPQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2S/c1-11(2,19(3,17)18)10(16)8-5-4-6-9(7-8)12(13,14)15/h4-7,10H,16H2,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine?
2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 115850671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).