1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C15H22F3NO — CID 103207056

IUPAC1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCOCC(F)(F)F)c1C
InChIInChI=1S/C15H22F3NO/c1-9-7-10(2)12(4)14(11(9)3)13(19)5-6-20-8-15(16,17)18/h7,13H,5-6,8,19H2,1-4H3
InChIKeyWVXIQGLIFZXVHT-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.89
Rot. Bonds5

About 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103207056) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103207056
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCc1cc(C)c(C)c(C(N)CCOCC(F)(F)F)c1C
InChIInChI=1S/C15H22F3NO/c1-9-7-10(2)12(4)14(11(9)3)13(19)5-6-20-8-15(16,17)18/h7,13H,5-6,8,19H2,1-4H3
InChIKeyWVXIQGLIFZXVHT-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147960
1-(2-chloro-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207867
1-(2,3-difluoro-4-methylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 107513932
3-chloro-1-(2,3,5,6-tetramethylphenyl)propan-1-amine
CID 116937694
1-(2-methylquinolin-6-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147995
1-(2,3,4,5,6-pentamethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210081
1-(2,3,5,6-tetramethylphenyl)nonan-1-amine
CID 65448374
5-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-2-fluoro-1,3-dimethylbenzene
CID 103211169
1-(4-bromo-2,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207612
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
1-(2,2,2-trifluoroethoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103214849
1-(3-bromo-4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207108

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103207056) is 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is Cc1cc(C)c(C)c(C(N)CCOCC(F)(F)F)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is WVXIQGLIFZXVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-9-7-10(2)12(4)14(11(9)3)13(19)5-6-20-8-15(16,17)18/h7,13H,5-6,8,19H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).