2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine

C14H20F3NO — CID 43752972

IUPAC2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(C(C)(C)C)c(OC(CN)C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-9-5-6-10(13(2,3)4)11(7-9)19-12(8-18)14(15,16)17/h5-7,12H,8,18H2,1-4H3
InChIKeyZFSQGKCYWJSESU-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.56
Rot. Bonds3

About 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine

2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 43752972) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID43752972
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine
SMILESCc1ccc(C(C)(C)C)c(OC(CN)C(F)(F)F)c1
InChIInChI=1S/C14H20F3NO/c1-9-5-6-10(13(2,3)4)11(7-9)19-12(8-18)14(15,16)17/h5-7,12H,8,18H2,1-4H3
InChIKeyZFSQGKCYWJSESU-UHFFFAOYSA-N
XLogP3.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-2-(2-methoxy-4-methylphenoxy)propan-1-amine
CID 43752910
2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
2-(2-tert-butyl-4-methylphenoxy)-3,3,4,4,4-pentafluorobutan-1-amine
CID 165439977
4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 43753296
2-(4-bromo-2-chlorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752950
1-amino-3-(2-tert-butyl-5-methylphenoxy)-2-methylpropan-2-ol
CID 64813765
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
1-tert-butyl-2-(2,2-dimethoxyethoxy)-4-methylbenzene
CID 66222531
1-tert-butyl-2-(2-chloroethoxy)-4-methylbenzene
CID 43135637
N-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-2-methylpropan-1-amine
CID 55196770
6-(2-tert-butyl-5-methylphenoxy)hexan-3-ol
CID 106802628
2-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-3,3,3-trifluoropropan-1-amine
CID 43752979

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine (CID 43752972) is 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine is Cc1ccc(C(C)(C)C)c(OC(CN)C(F)(F)F)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is ZFSQGKCYWJSESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-9-5-6-10(13(2,3)4)11(7-9)19-12(8-18)14(15,16)17/h5-7,12H,8,18H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine?
2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 43752972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).