2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

C16H22F3NO — CID 79911059

IUPAC2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2ccc(C(F)(F)F)cc2)C(C)(C)O1
InChIInChI=1S/C16H22F3NO/c1-14(2)9-13(15(3,4)21-14)20-10-11-5-7-12(8-6-11)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3
InChIKeyHUNZVNJRJURUCA-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.14
Rot. Bonds3

About 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine

2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (PubChem CID 79911059) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.

Molecular Properties

Compound Name2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
PubChem CID79911059
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine
SMILESCC1(C)CC(NCc2ccc(C(F)(F)F)cc2)C(C)(C)O1
InChIInChI=1S/C16H22F3NO/c1-14(2)9-13(15(3,4)21-14)20-10-11-5-7-12(8-6-11)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3
InChIKeyHUNZVNJRJURUCA-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2,2,5,5-tetramethyl-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]oxolan-3-amine
CID 97102338
N-[(3-chlorophenyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79928164
2,2,5,5-tetramethyl-N-(1H-pyrazol-4-ylmethyl)oxolan-3-amine
CID 79927637
4-[[(2,2,5,5-tetramethyloxolan-3-yl)amino]methyl]pyridin-2-amine
CID 136535179
(3S)-N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 97230209
N-(furan-2-ylmethyl)-2,2,5,5-tetramethyloxolan-3-amine
CID 79915639
N-[[4-(trifluoromethyl)phenyl]methyl]cyclopentanamine
CID 4264836
2,2,5,5-tetramethyl-N-[(3-nitrophenyl)methyl]oxolan-3-amine
CID 79928053
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
(3R)-N-[(3-chloro-4-pyridinyl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632685
N-[[4-(trifluoromethyl)phenyl]methyl]thian-4-amine
CID 60699978

Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The IUPAC name of 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine (CID 79911059) is 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine.
What is the SMILES notation for 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The canonical SMILES for 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is CC1(C)CC(NCc2ccc(C(F)(F)F)cc2)C(C)(C)O1.
What is the InChIKey of 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
The InChIKey is HUNZVNJRJURUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-14(2)9-13(15(3,4)21-14)20-10-11-5-7-12(8-6-11)16(17,18)19/h5-8,13,20H,9-10H2,1-4H3.
What are the key properties of 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine?
2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine has a molecular weight of 301.35 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethyl-N-[[4-(trifluoromethyl)phenyl]methyl]oxolan-3-amine is sourced from PubChem (CID 79911059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).