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

C11H14F3NO — CID 62352644

IUPAC2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)(CN)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-10(2,7-15)16-9-5-3-4-8(6-9)11(12,13)14/h3-6H,7,15H2,1-2H3
InChIKeyXLXLVZKUHFILJN-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.82
Rot. Bonds3

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

2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine (PubChem CID 62352644) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
PubChem CID62352644
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
SMILESCC(C)(CN)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-10(2,7-15)16-9-5-3-4-8(6-9)11(12,13)14/h3-6H,7,15H2,1-2H3
InChIKeyXLXLVZKUHFILJN-UHFFFAOYSA-N
XLogP2.82
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
2,2-dimethyl-5-[3-(trifluoromethyl)phenoxy]pentan-1-amine
CID 65256118
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
CID 63487662
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
1-amino-2-[3-(difluoromethoxy)phenyl]propan-2-ol
CID 107105450
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
2-(3-methoxyphenyl)-2-methylpropan-1-amine;hydrochloride
CID 67605594
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 59192639
[3-[3-(trifluoromethyl)phenoxy]phenyl]methanamine;hydrochloride
CID 133056705

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The IUPAC name of 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine (CID 62352644) is 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine is CC(C)(CN)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
The InChIKey is XLXLVZKUHFILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-10(2,7-15)16-9-5-3-4-8(6-9)11(12,13)14/h3-6H,7,15H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine?
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine has a molecular weight of 233.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine is sourced from PubChem (CID 62352644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).