2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine

C16H24F3NO — CID 103366667

IUPAC2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCc1ccc(OCC(CN)C(F)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C16H24F3NO/c1-5-11-6-7-14(13(8-11)15(2,3)4)21-10-12(9-20)16(17,18)19/h6-8,12H,5,9-10,20H2,1-4H3
InChIKeyGXEPHVJPYYZNHT-UHFFFAOYSA-N
MW303.37 g/mol
LogP4.06
Rot. Bonds5

About 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine

2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 103366667) has the molecular formula C16H24F3NO and a molecular weight of 303.37 g/mol. Its IUPAC name is 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
PubChem CID103366667
Molecular FormulaC16H24F3NO
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
SMILESCCc1ccc(OCC(CN)C(F)(F)F)c(C(C)(C)C)c1
InChIInChI=1S/C16H24F3NO/c1-5-11-6-7-14(13(8-11)15(2,3)4)21-10-12(9-20)16(17,18)19/h6-8,12H,5,9-10,20H2,1-4H3
InChIKeyGXEPHVJPYYZNHT-UHFFFAOYSA-N
XLogP4.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-tert-butyl-5-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366737
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopentylethanamine
CID 104748287
2-(2-tert-butyl-4-ethylphenoxy)-1-cyclopropylethanol
CID 63907234
(2-tert-butyl-4-ethylphenoxy)methyl-trifluoroboranuide
CID 63701534
2-[(2-chloro-4-methylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine
CID 103366797
5-(2-tert-butyl-4-ethylphenoxy)pentanenitrile
CID 60673937
3,3,3-trifluoro-2-[(2-methoxyphenoxy)methyl]propan-1-amine
CID 103366694
3-(2-tert-butyl-4-ethylphenoxy)-2-(cyclopropylamino)propan-1-ol
CID 64805124
N-[2-(2-tert-butyl-4-ethylphenoxy)ethyl]-2-methylpropan-2-amine
CID 63476113
[3-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]phenyl]methanamine
CID 22687466
2-[4-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]-3-methoxyphenyl]ethanamine
CID 20984719
5-(2-tert-butyl-4-ethylphenoxy)pyrazin-2-amine
CID 80663583

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine (CID 103366667) is 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine is CCc1ccc(OCC(CN)C(F)(F)F)c(C(C)(C)C)c1.
What is the InChIKey of 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is GXEPHVJPYYZNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO/c1-5-11-6-7-14(13(8-11)15(2,3)4)21-10-12(9-20)16(17,18)19/h6-8,12H,5,9-10,20H2,1-4H3.
What are the key properties of 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine?
2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 303.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butyl-4-ethylphenoxy)methyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103366667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).