3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine

C13H15F6NO — CID 103435224

IUPAC3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
SMILESCOc1c(C(N)C(C(F)(F)F)C(F)(F)F)ccc(C)c1C
InChIInChI=1S/C13H15F6NO/c1-6-4-5-8(10(21-3)7(6)2)9(20)11(12(14,15)16)13(17,18)19/h4-5,9,11H,20H2,1-3H3
InChIKeyMINKYPHXERRTCW-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.05
Rot. Bonds3

About 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103435224) has the molecular formula C13H15F6NO and a molecular weight of 315.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103435224
Molecular FormulaC13H15F6NO
Molecular Weight315.26 g/mol
Exact Mass315.11
IUPAC Name3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine
SMILESCOc1c(C(N)C(C(F)(F)F)C(F)(F)F)ccc(C)c1C
InChIInChI=1S/C13H15F6NO/c1-6-4-5-8(10(21-3)7(6)2)9(20)11(12(14,15)16)13(17,18)19/h4-5,9,11H,20H2,1-3H3
InChIKeyMINKYPHXERRTCW-UHFFFAOYSA-N
XLogP4.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-3,4-dimethylphenyl)-2-propylpentan-1-amine
CID 103435574
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475167
3-methoxy-1-(2-methoxy-3,4-dimethylphenyl)-3-methylbutan-1-amine
CID 103435571
N-[2,2,2-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)ethyl]propan-1-amine
CID 103435635
3,3,3-trifluoro-1-(2-methoxyphenyl)-2-(trifluoromethyl)propan-1-amine
CID 103311703
1-(2-methoxy-3,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 103432558
(3-fluoro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433807
(4-chloro-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433501
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
(2-methoxy-3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 103433515
(2,6-dimethyl-4-pyridinyl)-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 107503056
1-(2-methoxy-3,4-dimethylphenyl)-2-(4-methylphenyl)ethanamine
CID 103433454

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine (CID 103435224) is 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine is COc1c(C(N)C(C(F)(F)F)C(F)(F)F)ccc(C)c1C.
What is the InChIKey of 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is MINKYPHXERRTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6NO/c1-6-4-5-8(10(21-3)7(6)2)9(20)11(12(14,15)16)13(17,18)19/h4-5,9,11H,20H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 315.26 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-methoxy-3,4-dimethylphenyl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103435224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).