4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline

C13H14FNO2 — CID 113242989

IUPAC4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1occc1C
InChIInChI=1S/C13H14FNO2/c1-9-5-6-17-13(9)8-15-11-4-3-10(14)7-12(11)16-2/h3-7,15H,8H2,1-2H3
InChIKeyXOAGHDDEHHTPFO-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.35
Rot. Bonds4

About 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline

4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline (PubChem CID 113242989) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
PubChem CID113242989
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
SMILESCOc1cc(F)ccc1NCc1occc1C
InChIInChI=1S/C13H14FNO2/c1-9-5-6-17-13(9)8-15-11-4-3-10(14)7-12(11)16-2/h3-7,15H,8H2,1-2H3
InChIKeyXOAGHDDEHHTPFO-UHFFFAOYSA-N
XLogP3.35
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
2,4-difluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115977103
5-chloro-2,4-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115742755
4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115749342
3,5-dimethoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 113242993
N-[(3-chloro-4-methylphenyl)methyl]-4-fluoro-2-methoxyaniline
CID 106816718
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
4-fluoro-2-methoxy-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112650115
2-[(4-fluoro-2-methoxyanilino)methyl]phenol
CID 54968351
4-fluoro-N-[(5-iodofuran-2-yl)methyl]-2-methoxyaniline
CID 54968306
2-bromo-5-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115877164
4-fluoro-2-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 55591594

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline (CID 113242989) is 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline is COc1cc(F)ccc1NCc1occc1C.
What is the InChIKey of 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
The InChIKey is XOAGHDDEHHTPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9-5-6-17-13(9)8-15-11-4-3-10(14)7-12(11)16-2/h3-7,15H,8H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline?
4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline has a molecular weight of 235.26 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[(3-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 113242989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).