2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

C11H13BrF3NO — CID 82982350

IUPAC2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Br)c1O)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3
InChIKeyGGINQMVSPNZWEP-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.54
Rot. Bonds4

About 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol

2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (PubChem CID 82982350) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
PubChem CID82982350
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
SMILESCCN(Cc1cccc(Br)c1O)CC(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3
InChIKeyGGINQMVSPNZWEP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 112553506
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]acetamide
CID 103104513
2-[(3-bromo-2-hydroxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 82986439
N-[[2-bromo-4-(ethylaminomethyl)phenyl]methyl]-N-ethyl-2,2,2-trifluoroethanamine
CID 102770001
2-[2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenoxy]propanoic acid
CID 91791039
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
2,4-dichloro-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 82981653
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbothioamide
CID 62894793
2-[(3-bromo-2-hydroxyphenyl)methyl-propylamino]-N-methylacetamide
CID 82986387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol (CID 82982350) is 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is CCN(Cc1cccc(Br)c1O)CC(F)(F)F.
What is the InChIKey of 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
The InChIKey is GGINQMVSPNZWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-2-16(7-11(13,14)15)6-8-4-3-5-9(12)10(8)17/h3-5,17H,2,6-7H2,1H3.
What are the key properties of 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol?
2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)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 2-bromo-6-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]phenol is sourced from PubChem (CID 82982350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).