2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine

C12H16F3NO2 — CID 65053013

IUPAC2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
SMILESCC(C)(CN)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-11(2,8-16)17-7-9-3-5-10(6-4-9)18-12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyBCCGNSTUNFLRHB-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine

2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine (PubChem CID 65053013) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
PubChem CID65053013
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine
SMILESCC(C)(CN)OCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H16F3NO2/c1-11(2,8-16)17-7-9-3-5-10(6-4-9)18-12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKeyBCCGNSTUNFLRHB-UHFFFAOYSA-N
XLogP2.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine?
The IUPAC name of 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine (CID 65053013) is 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine?
The canonical SMILES for 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine is CC(C)(CN)OCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine?
The InChIKey is BCCGNSTUNFLRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-11(2,8-16)17-7-9-3-5-10(6-4-9)18-12(13,14)15/h3-6H,7-8,16H2,1-2H3.
What are the key properties of 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine?
2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(trifluoromethoxy)phenyl]methoxy]propan-1-amine is sourced from PubChem (CID 65053013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).