1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine

C13H18F3NO2 — CID 105136604

IUPAC1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCC(C)OCC(N)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-9(2)18-8-11(17)7-10-3-5-12(6-4-10)19-13(14,15)16/h3-6,9,11H,7-8,17H2,1-2H3
InChIKeyHELRDITYMHKKRD-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.88
Rot. Bonds6

About 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine

1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (PubChem CID 105136604) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
PubChem CID105136604
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
SMILESCC(C)OCC(N)Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H18F3NO2/c1-9(2)18-8-11(17)7-10-3-5-12(6-4-10)19-13(14,15)16/h3-6,9,11H,7-8,17H2,1-2H3
InChIKeyHELRDITYMHKKRD-UHFFFAOYSA-N
XLogP2.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)-3-propan-2-yloxypropan-2-amine
CID 105101467
2-amino-3-[4-(trifluoromethoxy)phenyl]propan-1-ol
CID 64573058
1-phenyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 62608696
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
4-methyl-5-[4-(trifluoromethoxy)phenyl]pentan-2-amine
CID 64718513
1-tert-butylsulfanyl-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 65132270
1,1-dimethoxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine
CID 79492941
1-(3-bromo-2-methylpropyl)-4-(trifluoromethoxy)benzene
CID 66048084
1-(2,2,3,3-tetramethylcyclopropyl)-2-[4-(trifluoromethoxy)phenyl]ethanamine
CID 115843444
1-(4-chloro-2-methylpentyl)-4-(trifluoromethoxy)benzene
CID 64720793
4-methyl-1-[4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 62606117
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine (CID 105136604) is 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is CC(C)OCC(N)Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
The InChIKey is HELRDITYMHKKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(2)18-8-11(17)7-10-3-5-12(6-4-10)19-13(14,15)16/h3-6,9,11H,7-8,17H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine?
1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-3-[4-(trifluoromethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 105136604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).