2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

C12H11BrFNO — CID 107598583

IUPAC2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1c(F)cccc1Br
InChIInChI=1S/C12H11BrFNO/c1-8-5-6-16-11(8)7-15-12-9(13)3-2-4-10(12)14/h2-6,15H,7H2,1H3
InChIKeyDMQOTBFIGLUDIO-UHFFFAOYSA-N
MW284.13 g/mol
LogP4.10
Rot. Bonds3

About 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline

2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 107598583) has the molecular formula C12H11BrFNO and a molecular weight of 284.13 g/mol. Its IUPAC name is 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID107598583
Molecular FormulaC12H11BrFNO
Molecular Weight284.13 g/mol
Exact Mass283.00
IUPAC Name2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCc1ccoc1CNc1c(F)cccc1Br
InChIInChI=1S/C12H11BrFNO/c1-8-5-6-16-11(8)7-15-12-9(13)3-2-4-10(12)14/h2-6,15H,7H2,1H3
InChIKeyDMQOTBFIGLUDIO-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromofuran-2-yl)methyl]-2-fluoro-6-methylaniline
CID 106885510
2-bromo-6-fluoro-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746575
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
2-bromo-N-[(2,3-difluorophenyl)methyl]-6-fluoroaniline
CID 107598130
2-bromo-N-[(2,6-dichlorophenyl)methyl]-6-fluoroaniline
CID 107598297
1-(2-bromophenyl)-N-[(3-methylfuran-2-yl)methyl]methanamine
CID 115652969
N-[(3-bromofuran-2-yl)methyl]-2-chloro-6-methylaniline
CID 106885395
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
2-bromo-N-[(5-tert-butylthiophen-2-yl)methyl]-6-fluoroaniline
CID 107597844
2-bromo-N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-6-fluoroaniline
CID 113356631
2-bromo-6-fluoro-N-(2-methoxypropyl)aniline
CID 107599525
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-6-fluoroaniline
CID 107598279

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline (CID 107598583) is 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is Cc1ccoc1CNc1c(F)cccc1Br.
What is the InChIKey of 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is DMQOTBFIGLUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrFNO/c1-8-5-6-16-11(8)7-15-12-9(13)3-2-4-10(12)14/h2-6,15H,7H2,1H3.
What are the key properties of 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline?
2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 284.13 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 107598583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).