N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine

C15H20F3NO — CID 103066757

IUPACN-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11(9-19-14(2,3)4)10-20-13-8-6-5-7-12(13)15(16,17)18/h5-8,19H,1,9-10H2,2-4H3
InChIKeyOGBGVGRSSYIXJM-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.03
Rot. Bonds5

About N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine

N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine (PubChem CID 103066757) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
PubChem CID103066757
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC NameN-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COc1ccccc1C(F)(F)F
InChIInChI=1S/C15H20F3NO/c1-11(9-19-14(2,3)4)10-20-13-8-6-5-7-12(13)15(16,17)18/h5-8,19H,1,9-10H2,2-4H3
InChIKeyOGBGVGRSSYIXJM-UHFFFAOYSA-N
XLogP4.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-[2-(trifluoromethyl)phenoxy]prop-1-en-2-yl]boranuide
CID 106746513
N-tert-butyl-2-[(5-chloroquinolin-8-yl)oxymethyl]prop-2-en-1-amine
CID 103066735
N-tert-butyl-2-[(3-ethoxyphenoxy)methyl]prop-2-en-1-amine
CID 103067187
N-tert-butyl-2-[(3-methoxyphenoxy)methyl]prop-2-en-1-amine
CID 103066547
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
1-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 62041643
N-tert-butyl-2-[[3-(methoxymethyl)phenoxy]methyl]prop-2-en-1-amine
CID 103067274
2-[2-(2-methylprop-2-enoxy)phenyl]propan-2-amine
CID 117294143
N-tert-butyl-2-[(2-chloro-5-nitrophenoxy)methyl]prop-2-en-1-amine
CID 103067268
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
2,2-dimethyl-3-[2-(trifluoromethyl)phenoxy]propane-1-sulfonyl chloride
CID 64999252
N-tert-butyl-2-[(2-methylpropan-2-yl)oxymethyl]prop-2-en-1-amine
CID 103074530

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine (CID 103066757) is N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)COc1ccccc1C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine?
The InChIKey is OGBGVGRSSYIXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-11(9-19-14(2,3)4)10-20-13-8-6-5-7-12(13)15(16,17)18/h5-8,19H,1,9-10H2,2-4H3.
What are the key properties of N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine?
N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine has a molecular weight of 287.32 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-(trifluoromethyl)phenoxy]methyl]prop-2-en-1-amine is sourced from PubChem (CID 103066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).