3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine

C13H18F3NO — CID 103366783

IUPAC3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
SMILESCc1cc(C)c(OCC(CN)C(F)(F)F)c(C)c1
InChIInChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)18-7-11(6-17)13(14,15)16/h4-5,11H,6-7,17H2,1-3H3
InChIKeyRUKQHYXEMKDYMS-UHFFFAOYSA-N
MW261.29 g/mol
LogP3.13
Rot. Bonds4

About 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine

3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine (PubChem CID 103366783) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
PubChem CID103366783
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine
SMILESCc1cc(C)c(OCC(CN)C(F)(F)F)c(C)c1
InChIInChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)18-7-11(6-17)13(14,15)16/h4-5,11H,6-7,17H2,1-3H3
InChIKeyRUKQHYXEMKDYMS-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-3-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366836
3,3-dimethyl-1-(2,4,6-trimethylphenoxy)butan-2-amine
CID 61220683
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
1,3-bis(2,4,6-trimethylphenoxy)propan-2-ol
CID 121215502
1-(2,4,6-trimethylphenoxy)butan-2-ol
CID 61218210
5-methyl-1-(2,4,6-trimethylphenoxy)hexan-2-ol
CID 158039757
3,5-dimethyl-2-(2-methylpropoxy)aniline
CID 54853227
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 64821908
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366667
1-amino-4-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]pentan-2-ol
CID 83942386
2-[2-[3,5-dimethyl-2-(2-methylpropoxy)phenyl]butyl]propane-1,3-diamine
CID 83942296
(2,4,6-trimethylphenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanoate
CID 2748449

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine (CID 103366783) is 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine is Cc1cc(C)c(OCC(CN)C(F)(F)F)c(C)c1.
What is the InChIKey of 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine?
The InChIKey is RUKQHYXEMKDYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-8-4-9(2)12(10(3)5-8)18-7-11(6-17)13(14,15)16/h4-5,11H,6-7,17H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine?
3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2,4,6-trimethylphenoxy)methyl]propan-1-amine is sourced from PubChem (CID 103366783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).