2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine

C12H16F3NO — CID 62354628

IUPAC2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-11(2,8-16)17-10-7-5-4-6-9(10)12(13,14)15/h4-7H,3,8,16H2,1-2H3
InChIKeyRCSMHMSBWOVFKL-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.21
Rot. Bonds4

About 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine

2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine (PubChem CID 62354628) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
PubChem CID62354628
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine
SMILESCCC(C)(CN)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C12H16F3NO/c1-3-11(2,8-16)17-10-7-5-4-6-9(10)12(13,14)15/h4-7H,3,8,16H2,1-2H3
InChIKeyRCSMHMSBWOVFKL-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The IUPAC name of 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine (CID 62354628) is 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The canonical SMILES for 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine is CCC(C)(CN)Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine?
The InChIKey is RCSMHMSBWOVFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-11(2,8-16)17-10-7-5-4-6-9(10)12(13,14)15/h4-7H,3,8,16H2,1-2H3.
What are the key properties of 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine?
2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine has a molecular weight of 247.26 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(trifluoromethyl)phenoxy]butan-1-amine is sourced from PubChem (CID 62354628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).