(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine

C13H18F3N — CID 170896581

IUPAC(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1c([C@H](N)C(C)(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-8-9(11(17)12(2,3)4)6-5-7-10(8)13(14,15)16/h5-7,11H,17H2,1-4H3/t11-/m0/s1
InChIKeyGSUQNFNEGSIBFY-NSHDSACASA-N
MW245.29 g/mol
LogP4.06
Rot. Bonds1

About (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine

(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 170896581) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID170896581
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine
SMILESCc1c([C@H](N)C(C)(C)C)cccc1C(F)(F)F
InChIInChI=1S/C13H18F3N/c1-8-9(11(17)12(2,3)4)6-5-7-10(8)13(14,15)16/h5-7,11H,17H2,1-4H3/t11-/m0/s1
InChIKeyGSUQNFNEGSIBFY-NSHDSACASA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
(1S)-1-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242808
1-[2,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 139965920
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
CID 131151312
(1R,2S)-1-amino-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171160420
[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl] carbamate
CID 175527175
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
2,2-dimethyl-1-[2,3,6-tris(trifluoromethyl)phenyl]propan-1-amine
CID 139965977
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
(1S)-1-[4-fluoro-2-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171242678
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine (CID 170896581) is (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine is Cc1c([C@H](N)C(C)(C)C)cccc1C(F)(F)F.
What is the InChIKey of (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is GSUQNFNEGSIBFY-NSHDSACASA-N. The full InChI is InChI=1S/C13H18F3N/c1-8-9(11(17)12(2,3)4)6-5-7-10(8)13(14,15)16/h5-7,11H,17H2,1-4H3/t11-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine?
(1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-[2-methyl-3-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 170896581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).