N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

C11H13BrF3NO — CID 61390095

IUPACN-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCC(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16-6-8-4-3-5-9(12)10(8)17-7-11(13,14)15/h3-5,16H,2,6-7H2,1H3
InChIKeyWXKZEZYWYNKPGO-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.50
Rot. Bonds5

About N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine

N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (PubChem CID 61390095) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
PubChem CID61390095
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC NameN-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(Br)c1OCC(F)(F)F
InChIInChI=1S/C11H13BrF3NO/c1-2-16-6-8-4-3-5-9(12)10(8)17-7-11(13,14)15/h3-5,16H,2,6-7H2,1H3
InChIKeyWXKZEZYWYNKPGO-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine 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-[(3-bromo-2-pentoxyphenyl)methyl]ethanamine
CID 55133993
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-dimethylethanamine
CID 61390059
N-[[3-bromo-2-(pyrimidin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 62699145
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-[[3-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methyl]ethanamine
CID 63499927
methyl 3-[2-bromo-6-(ethylaminomethyl)phenoxy]propanoate
CID 63949097
1-[2-bromo-6-(methylaminomethyl)phenoxy]-2-methylpropan-2-ol
CID 61390217
1-[2-bromo-6-[(2-methylpropylamino)methyl]phenoxy]-2-methylpropan-2-ol
CID 63058872
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N,N-diethylacetamide
CID 61390012
N-[(3-bromo-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006126
N-[[3-bromo-2-(3,3,3-trifluoropropoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 64553120
2-[2-bromo-6-(ethylaminomethyl)phenoxy]-N-carbamoylacetamide
CID 61390112

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine (CID 61390095) is N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is CCNCc1cccc(Br)c1OCC(F)(F)F.
What is the InChIKey of N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
The InChIKey is WXKZEZYWYNKPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c1-2-16-6-8-4-3-5-9(12)10(8)17-7-11(13,14)15/h3-5,16H,2,6-7H2,1H3.
What are the key properties of N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine?
N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine has a molecular weight of 312.13 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 61390095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).