2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine

C11H15F3N2O2S — CID 104556660

IUPAC2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine
SMILESCC(CN)N(C)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-8(7-15)16(2)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6,8H,7,15H2,1-2H3
InChIKeyABVKDFHOLPGNKE-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.76
Rot. Bonds4

About 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine

2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine (PubChem CID 104556660) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine
PubChem CID104556660
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine
SMILESCC(CN)N(C)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-8(7-15)16(2)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6,8H,7,15H2,1-2H3
InChIKeyABVKDFHOLPGNKE-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-3-N-[2-(trifluoromethylsulfonyl)phenyl]butane-1,3-diamine
CID 63225381
2-[1-aminopropan-2-yl(methyl)amino]-N-propylbenzenesulfonamide
CID 104556716
4-[N-methyl-2-(trifluoromethylsulfonyl)anilino]butan-2-ol
CID 115658301
N'-ethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 63765318
2-N-(2-bromophenyl)-2-N-methylpropane-1,2-diamine
CID 82021054
N,N'-diethyl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 62587308
2-[1-bromopropan-2-yl(methyl)amino]-N,N-dimethylbenzenesulfonamide
CID 113426409
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
N-hexan-2-yl-2-(trifluoromethylsulfonyl)aniline
CID 63541038
(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine (CID 104556660) is 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine is CC(CN)N(C)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine?
The InChIKey is ABVKDFHOLPGNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-8(7-15)16(2)9-5-3-4-6-10(9)19(17,18)11(12,13)14/h3-6,8H,7,15H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine?
2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine has a molecular weight of 296.31 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-[2-(trifluoromethylsulfonyl)phenyl]propane-1,2-diamine is sourced from PubChem (CID 104556660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).