3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine

C15H22F3NO — CID 43753347

IUPAC3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-10-9-11(14(2,3)4)5-6-12(10)20-13(7-8-19)15(16,17)18/h5-6,9,13H,7-8,19H2,1-4H3
InChIKeyNOOARDRZFRLANC-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.95
Rot. Bonds4

About 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine

3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753347) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID43753347
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
SMILESCc1cc(C(C)(C)C)ccc1OC(CCN)C(F)(F)F
InChIInChI=1S/C15H22F3NO/c1-10-9-11(14(2,3)4)5-6-12(10)20-13(7-8-19)15(16,17)18/h5-6,9,13H,7-8,19H2,1-4H3
InChIKeyNOOARDRZFRLANC-UHFFFAOYSA-N
XLogP3.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 43753296
3-(2-ethylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753350
2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752972
2-[4-(1-fluoro-1-phosphanylethyl)-2-methylphenoxy]ethanamine
CID 155416860
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753381
2-(4-tert-butyl-2-methylphenoxy)-N-propylpentan-1-amine
CID 83049912
2-(4-tert-butyl-2-methylphenoxy)propanamide
CID 55023677
2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
CID 43753315
[4-(4-tert-butyl-2-methylphenoxy)-3-methylphenyl]methanamine
CID 63456904
(2R)-2-(4-tert-butyl-2-methylphenoxy)propanenitrile
CID 94156951
methyl (2R)-2-(4-tert-butyl-2-methylphenoxy)propanoate
CID 94156912
2-(4-bromothiophen-2-yl)-2-(4-tert-butyl-2-methylphenoxy)ethanamine
CID 63459385

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine (CID 43753347) is 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine is Cc1cc(C(C)(C)C)ccc1OC(CCN)C(F)(F)F.
What is the InChIKey of 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is NOOARDRZFRLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-10-9-11(14(2,3)4)5-6-12(10)20-13(7-8-19)15(16,17)18/h5-6,9,13H,7-8,19H2,1-4H3.
What are the key properties of 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine?
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).