2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H20F3NO — CID 62572417

IUPAC2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H20F3NO/c1-10(2)12-5-4-6-13(7-12)19-11(3)8-18-9-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyGSXKJHYMYXCSSG-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.73
Rot. Bonds6

About 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62572417) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62572417
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)Oc1cccc(C(C)C)c1
InChIInChI=1S/C14H20F3NO/c1-10(2)12-5-4-6-13(7-12)19-11(3)8-18-9-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3
InChIKeyGSXKJHYMYXCSSG-UHFFFAOYSA-N
XLogP3.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-prop-2-enylpropan-1-amine
CID 62570863
2-methyl-N-[2-(3-propan-2-ylphenoxy)propyl]butan-2-amine
CID 55195324
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55093056
2-(3-propan-2-ylphenoxy)propan-1-ol
CID 82075961
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62571036
N-tert-butyl-4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453840
4-(3-propan-2-ylphenoxy)pentan-1-amine
CID 62453134
(1S)-1-(3-butan-2-yloxyphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 161056198
N-methyl-2-phenyl-2-(3-propan-2-ylphenoxy)ethanamine
CID 62454693

Frequently Asked Questions

What is the IUPAC name of 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62572417) is 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)Oc1cccc(C(C)C)c1.
What is the InChIKey of 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is GSXKJHYMYXCSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-10(2)12-5-4-6-13(7-12)19-11(3)8-18-9-14(15,16)17/h4-7,10-11,18H,8-9H2,1-3H3.
What are the key properties of 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62572417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).