2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline

C14H12BrF2NO2 — CID 170702622

IUPAC2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline
SMILESCNc1c(Br)cccc1Oc1cccc(OC(F)F)c1
InChIInChI=1S/C14H12BrF2NO2/c1-18-13-11(15)6-3-7-12(13)19-9-4-2-5-10(8-9)20-14(16)17/h2-8,14,18H,1H3
InChIKeyNTOFUUWSGHKDOA-UHFFFAOYSA-N
MW344.16 g/mol
LogP4.88
Rot. Bonds5

About 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline

2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline (PubChem CID 170702622) has the molecular formula C14H12BrF2NO2 and a molecular weight of 344.16 g/mol. Its IUPAC name is 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline.

Molecular Properties

Compound Name2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline
PubChem CID170702622
Molecular FormulaC14H12BrF2NO2
Molecular Weight344.16 g/mol
Exact Mass343.00
IUPAC Name2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline
SMILESCNc1c(Br)cccc1Oc1cccc(OC(F)F)c1
InChIInChI=1S/C14H12BrF2NO2/c1-18-13-11(15)6-3-7-12(13)19-9-4-2-5-10(8-9)20-14(16)17/h2-8,14,18H,1H3
InChIKeyNTOFUUWSGHKDOA-UHFFFAOYSA-N
XLogP4.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline 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

2-[3-(difluoromethoxy)phenoxy]benzonitrile
CID 23001279
2-bromo-6-(2-chloro-5-fluorophenoxy)-N-methylaniline
CID 170702614
2-bromo-6-[3-(difluoromethoxy)phenoxy]pyridine
CID 166791204
1-bromo-3-[3-(difluoromethoxy)phenyl]-2-methylbenzene
CID 175476030
1-bromo-7-(difluoromethoxy)naphthalene
CID 133084223
4-N-[3-(difluoromethoxy)phenyl]-6-N-methylpyrimidine-4,6-diamine
CID 122281805
2-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-6-fluoroaniline
CID 107598304
1-[3-(difluoromethoxy)phenyl]-N-methylpropan-1-amine
CID 114979665
3-(difluoromethoxy)-N-(2-methylpropyl)aniline
CID 43698814
3-bromo-N-[3-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 107518301
2-bromo-N-[1-[3-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 47034973
N-[3-(difluoromethoxy)phenyl]-2-(methylamino)propanamide
CID 62638211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline?
The IUPAC name of 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline (CID 170702622) is 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline.
What is the SMILES notation for 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline?
The canonical SMILES for 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline is CNc1c(Br)cccc1Oc1cccc(OC(F)F)c1.
What is the InChIKey of 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline?
The InChIKey is NTOFUUWSGHKDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO2/c1-18-13-11(15)6-3-7-12(13)19-9-4-2-5-10(8-9)20-14(16)17/h2-8,14,18H,1H3.
What are the key properties of 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline?
2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline has a molecular weight of 344.16 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[3-(difluoromethoxy)phenoxy]-N-methylaniline is sourced from PubChem (CID 170702622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).