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

C11H13BrF3NO — CID 82981104

IUPAC4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCN(CCC(F)(F)F)Cc1cc(O)ccc1Br
InChIInChI=1S/C11H13BrF3NO/c1-16(5-4-11(13,14)15)7-8-6-9(17)2-3-10(8)12/h2-3,6,17H,4-5,7H2,1H3
InChIKeyLLPPQFXZHYMLCY-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.54
Rot. Bonds4

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

4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (PubChem CID 82981104) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
PubChem CID82981104
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
SMILESCN(CCC(F)(F)F)Cc1cc(O)ccc1Br
InChIInChI=1S/C11H13BrF3NO/c1-16(5-4-11(13,14)15)7-8-6-9(17)2-3-10(8)12/h2-3,6,17H,4-5,7H2,1H3
InChIKeyLLPPQFXZHYMLCY-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol 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

N-[2-[(2-bromo-5-hydroxyphenyl)methyl-methylamino]ethyl]-2-methylpropanamide
CID 75471098
4-bromo-3-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]phenol
CID 82982203
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl-methylamino]propanoic acid
CID 122037242
2-[(2-bromo-5-fluorophenyl)methyl-methylamino]ethanol
CID 62020447
2-chloro-4-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol
CID 82981036
2-[(2-bromo-5-hydroxyphenyl)methyl-propylamino]acetic acid
CID 122040276
3-[[bis(3-methylbutyl)amino]methyl]-4-bromophenol
CID 107871875
2-(2-bromo-5-hydroxyphenyl)acetic acid
CID 57257821
2-[[[2-bromo-5-(trifluoromethyl)phenyl]methyl-methylamino]methyl]phenol
CID 72722956
4-bromo-3-[[propan-2-yl(propyl)amino]methyl]phenol
CID 82977711
4-bromo-3-[[methyl(propyl)amino]methyl]benzoic acid
CID 165458508
N-[(5-bromo-2-pyridinyl)methyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 115622453

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The IUPAC name of 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol (CID 82981104) is 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol.
What is the SMILES notation for 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The canonical SMILES for 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is CN(CCC(F)(F)F)Cc1cc(O)ccc1Br.
What is the InChIKey of 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
The InChIKey is LLPPQFXZHYMLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-16(5-4-11(13,14)15)7-8-6-9(17)2-3-10(8)12/h2-3,6,17H,4-5,7H2,1H3.
What are the key properties of 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol?
4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol has a molecular weight of 312.13 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[[methyl(3,3,3-trifluoropropyl)amino]methyl]phenol is sourced from PubChem (CID 82981104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).