2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine

C12H16F3NO — CID 167341767

IUPAC2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
SMILESCC(C)(C)NCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)16-8-17-10-6-4-9(5-7-10)12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyDINSSGZUACGHSN-UHFFFAOYSA-N
MW247.26 g/mol
LogP3.43
Rot. Bonds3

About 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine

2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine (PubChem CID 167341767) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
PubChem CID167341767
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine
SMILESCC(C)(C)NCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO/c1-11(2,3)16-8-17-10-6-4-9(5-7-10)12(13,14)15/h4-7,16H,8H2,1-3H3
InChIKeyDINSSGZUACGHSN-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(tert-butylamino)-3-[4-(trifluoromethyl)phenoxy]propan-2-ol
CID 115475984
1-(tert-butylamino)-3-[4-[4-(trifluoromethyl)phenyl]phenoxy]propan-2-ol
CID 70134512
1-(3,3,3-trifluoro-2,2-dimethylpropoxy)-4-(trifluoromethyl)benzene
CID 89280701
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
1-(methoxymethoxy)-4-(trifluoromethyl)benzene
CID 11009076
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-butoxy-4-(trifluoromethyl)benzene;ethane
CID 144593328
tert-butyl-dimethyl-[2-[4-(trifluoromethyl)phenoxy]ethoxy]silane
CID 70670992
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
N-[3-methoxy-2-[4-(trifluoromethyl)phenoxy]propyl]-2-methylpropan-2-amine
CID 103227736
N-ethyl-2,2-dimethyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 79621726
N-ethyl-5-[4-(trifluoromethyl)phenoxy]pentan-1-amine
CID 55073008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine (CID 167341767) is 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine is CC(C)(C)NCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine?
The InChIKey is DINSSGZUACGHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-11(2,3)16-8-17-10-6-4-9(5-7-10)12(13,14)15/h4-7,16H,8H2,1-3H3.
What are the key properties of 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine?
2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine has a molecular weight of 247.26 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(trifluoromethyl)phenoxy]methyl]propan-2-amine is sourced from PubChem (CID 167341767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).