N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline

C13H12BrF2NO3 — CID 103818584

IUPACN-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
SMILESCOc1ccc(OC(F)F)c(NCc2occc2Br)c1
InChIInChI=1S/C13H12BrF2NO3/c1-18-8-2-3-11(20-13(15)16)10(6-8)17-7-12-9(14)4-5-19-12/h2-6,13,17H,7H2,1H3
InChIKeyGWNJRPTUSMMSNO-UHFFFAOYSA-N
MW348.14 g/mol
LogP4.26
Rot. Bonds6

About N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline

N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline (PubChem CID 103818584) has the molecular formula C13H12BrF2NO3 and a molecular weight of 348.14 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
PubChem CID103818584
Molecular FormulaC13H12BrF2NO3
Molecular Weight348.14 g/mol
Exact Mass347.00
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
SMILESCOc1ccc(OC(F)F)c(NCc2occc2Br)c1
InChIInChI=1S/C13H12BrF2NO3/c1-18-8-2-3-11(20-13(15)16)10(6-8)17-7-12-9(14)4-5-19-12/h2-6,13,17H,7H2,1H3
InChIKeyGWNJRPTUSMMSNO-UHFFFAOYSA-N
XLogP4.26
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline
CID 43699802
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]phenol
CID 43699564
2-(difluoromethoxy)-5-methoxy-N-(2-methylpropyl)aniline
CID 43699541
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
2-(difluoromethoxy)-5-methoxy-N-[(5-methyl-2-pyridinyl)methyl]aniline
CID 81308332
1-chloro-3-[2-(difluoromethoxy)-5-methoxyanilino]propan-2-ol
CID 168639388
3-[2-(difluoromethoxy)-5-methoxyanilino]-2,2-dimethylpropan-1-ol
CID 81412021
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-methylbutan-1-ol
CID 81412901
2-[[2-(difluoromethoxy)-5-methoxyanilino]methyl]-2-ethylbutan-1-ol
CID 81401237
2-(difluoromethoxy)-5-methoxy-N-(oxan-3-ylmethyl)aniline
CID 63740019
N-[2-(difluoromethoxy)-5-methoxyphenyl]-2,2-dimethylpropanamide
CID 64593385
2-(difluoromethoxy)-5-methoxy-N-(5-methylhexan-2-yl)aniline
CID 43699612

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline (CID 103818584) is N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline is COc1ccc(OC(F)F)c(NCc2occc2Br)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline?
The InChIKey is GWNJRPTUSMMSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO3/c1-18-8-2-3-11(20-13(15)16)10(6-8)17-7-12-9(14)4-5-19-12/h2-6,13,17H,7H2,1H3.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline?
N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline has a molecular weight of 348.14 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromofuran-2-yl)methyl]-2-(difluoromethoxy)-5-methoxyaniline is sourced from PubChem (CID 103818584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).