2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline

C16H15F2NO — CID 66364284

IUPAC2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCC2Cc3cc(F)ccc3O2)c(F)c1
InChIInChI=1S/C16H15F2NO/c1-10-2-4-15(14(18)6-10)19-9-13-8-11-7-12(17)3-5-16(11)20-13/h2-7,13,19H,8-9H2,1H3
InChIKeyFIILHTHOISRKTO-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.69
Rot. Bonds3

About 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline

2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline (PubChem CID 66364284) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
PubChem CID66364284
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
SMILESCc1ccc(NCC2Cc3cc(F)ccc3O2)c(F)c1
InChIInChI=1S/C16H15F2NO/c1-10-2-4-15(14(18)6-10)19-9-13-8-11-7-12(17)3-5-16(11)20-13/h2-7,13,19H,8-9H2,1H3
InChIKeyFIILHTHOISRKTO-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66365455
4-bromo-2,5-difluoro-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 107611174
2,5-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 104726879
2,6-difluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylaniline
CID 82800657
5-fluoro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylamino]benzonitrile
CID 82683580
2-chloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66364478
2-iodo-N-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66361533
2-bromo-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-5-methylaniline
CID 82756944
4-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methoxyaniline
CID 114839479
3-ethyl-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-methylpyrazol-4-amine
CID 107462852
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,4,4-trimethylpentan-2-amine
CID 66363911
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]butan-2-amine
CID 66363891

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline?
The IUPAC name of 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline (CID 66364284) is 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline?
The canonical SMILES for 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline is Cc1ccc(NCC2Cc3cc(F)ccc3O2)c(F)c1.
What is the InChIKey of 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline?
The InChIKey is FIILHTHOISRKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-10-2-4-15(14(18)6-10)19-9-13-8-11-7-12(17)3-5-16(11)20-13/h2-7,13,19H,8-9H2,1H3.
What are the key properties of 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline?
2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline has a molecular weight of 275.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline is sourced from PubChem (CID 66364284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).