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

C12H16F3NO — CID 112739286

IUPAC2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
SMILESCC(C)(N)COCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,16)8-17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyFBECOUIMQDMYRI-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.96
Rot. Bonds4

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

2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine (PubChem CID 112739286) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
PubChem CID112739286
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine
SMILESCC(C)(N)COCc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-11(2,16)8-17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyFBECOUIMQDMYRI-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095
methyl 2-[2-[(2-amino-2-methylpropoxy)methyl]phenyl]acetate
CID 106939943
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
[2-(trifluoromethyl)phenyl]methyl 2,2-dimethylpropanoate
CID 102335909
1-(3-methylbutoxymethyl)-2-(trifluoromethyl)benzene
CID 91723334
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
CID 84748030
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
CID 154703356
1-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 91621520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine?
The IUPAC name of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine (CID 112739286) is 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine?
The canonical SMILES for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine is CC(C)(N)COCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine?
The InChIKey is FBECOUIMQDMYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,16)8-17-7-9-5-3-4-6-10(9)12(13,14)15/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine?
2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[[2-(trifluoromethyl)phenyl]methoxy]propan-2-amine is sourced from PubChem (CID 112739286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).