2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

C13H18F3NO2 — CID 82980817

IUPAC2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)CCC(F)(F)F)ccc1O
InChIInChI=1S/C13H18F3NO2/c1-3-19-12-8-10(4-5-11(12)18)9-17(2)7-6-13(14,15)16/h4-5,8,18H,3,6-7,9H2,1-2H3
InChIKeyUXDBAHPLPFNTEX-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.18
Rot. Bonds6

About 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol

2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (PubChem CID 82980817) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
PubChem CID82980817
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCCOc1cc(CN(C)CCC(F)(F)F)ccc1O
InChIInChI=1S/C13H18F3NO2/c1-3-19-12-8-10(4-5-11(12)18)9-17(2)7-6-13(14,15)16/h4-5,8,18H,3,6-7,9H2,1-2H3
InChIKeyUXDBAHPLPFNTEX-UHFFFAOYSA-N
XLogP3.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 79311898
4-[[3-aminopropyl(methyl)amino]methyl]-2-ethoxyphenol
CID 113285683
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-ethoxy-4-[[methyl(2-methylpropyl)amino]methyl]phenol
CID 82976727
2,6-dimethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 78971012
4-[[cyclopentylmethyl(methyl)amino]methyl]-2-ethoxyphenol
CID 82980831
2-ethoxy-4-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]phenol
CID 82961939
4-[[bis(2-methylpropyl)amino]methyl]-2-ethoxyphenol
CID 82982111
2-(3-ethoxy-4-hydroxyphenyl)acetaldehyde
CID 54156927
2-ethoxy-4-(methylaminomethyl)phenol
CID 16776359
4-[2-amino-2-(dimethylamino)propyl]-2-ethoxyphenol
CID 84748173
2-ethoxy-4-[[2-methoxyethyl(propan-2-yl)amino]methyl]phenol
CID 82983167

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (CID 82980817) is 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is CCOc1cc(CN(C)CCC(F)(F)F)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The InChIKey is UXDBAHPLPFNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-3-19-12-8-10(4-5-11(12)18)9-17(2)7-6-13(14,15)16/h4-5,8,18H,3,6-7,9H2,1-2H3.
What are the key properties of 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol has a molecular weight of 277.29 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is sourced from PubChem (CID 82980817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).