4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol

C15H22F3NO — CID 82983289

IUPAC4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCCC(C)CN(CC)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-11(3)9-19(5-2)10-12-6-7-14(20)13(8-12)15(16,17)18/h6-8,11,20H,4-5,9-10H2,1-3H3
InChIKeyNMASTSTUQKPWPX-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.28
Rot. Bonds6

About 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol

4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol (PubChem CID 82983289) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
PubChem CID82983289
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol
SMILESCCC(C)CN(CC)Cc1ccc(O)c(C(F)(F)F)c1
InChIInChI=1S/C15H22F3NO/c1-4-11(3)9-19(5-2)10-12-6-7-14(20)13(8-12)15(16,17)18/h6-8,11,20H,4-5,9-10H2,1-3H3
InChIKeyNMASTSTUQKPWPX-UHFFFAOYSA-N
XLogP4.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[butan-2-yl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82976724
4-[[ethyl(methyl)amino]methyl]-2-(trifluoromethyl)phenol
CID 82977713
N-ethyl-2-[ethyl-[[4-hydroxy-3-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 82957049
ethane;4-ethyl-2-(trifluoromethyl)phenol
CID 143680036
3-[4-hydroxy-3-(trifluoromethyl)phenyl]-2-methylpropanoic acid
CID 84706478
2-[4-[[ethyl(2-methylbutyl)amino]methyl]phenyl]acetic acid
CID 105346105
methyl 4-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorobenzoate
CID 103749530
3-[5-[[ethyl(2-methylbutyl)amino]methyl]-2-fluorophenyl]prop-2-yn-1-ol
CID 79483023
4-bromo-3-[[ethyl(2-methylbutyl)amino]methyl]phenol
CID 82983837
5-[[ethyl(2-methylbutyl)amino]methyl]-2-methoxybenzoic acid
CID 79480968
4-[[ethyl(2-methylpropyl)amino]methyl]-2-methoxyphenol
CID 82977222
3-[[ethyl(2-methylbutyl)amino]methyl]-5-fluoroaniline
CID 112646222

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol?
The IUPAC name of 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol (CID 82983289) is 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol.
What is the SMILES notation for 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol?
The canonical SMILES for 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol is CCC(C)CN(CC)Cc1ccc(O)c(C(F)(F)F)c1.
What is the InChIKey of 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol?
The InChIKey is NMASTSTUQKPWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-4-11(3)9-19(5-2)10-12-6-7-14(20)13(8-12)15(16,17)18/h6-8,11,20H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol?
4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol has a molecular weight of 289.34 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2-methylbutyl)amino]methyl]-2-(trifluoromethyl)phenol is sourced from PubChem (CID 82983289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).