1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine

C16H13F2NO — CID 105043942

IUPAC1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc3ccccc3o2)c(F)cc1F
InChIInChI=1S/C16H13F2NO/c1-9-6-11(13(18)8-12(9)17)16(19)15-7-10-4-2-3-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyPUKUPWIJGXVPLH-UHFFFAOYSA-N
MW273.28 g/mol
LogP4.07
Rot. Bonds2

About 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine

1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 105043942) has the molecular formula C16H13F2NO and a molecular weight of 273.28 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID105043942
Molecular FormulaC16H13F2NO
Molecular Weight273.28 g/mol
Exact Mass273.10
IUPAC Name1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2cc3ccccc3o2)c(F)cc1F
InChIInChI=1S/C16H13F2NO/c1-9-6-11(13(18)8-12(9)17)16(19)15-7-10-4-2-3-5-14(10)20-15/h2-8,16H,19H2,1H3
InChIKeyPUKUPWIJGXVPLH-UHFFFAOYSA-N
XLogP4.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105045726
1-benzofuran-2-yl-(2,4,5-trimethylphenyl)methanamine
CID 60727883
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
1-benzofuran-2-yl-(2-fluoro-4,6-dimethylphenyl)methanamine
CID 106881511
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
1-benzofuran-2-yl-(2-methoxy-3,4-dimethylphenyl)methanamine
CID 103433505
1-benzofuran-2-yl-(4-bromo-2,6-difluorophenyl)methanamine
CID 105044197
1-benzofuran-2-yl-(3-methylthiophen-2-yl)methanamine
CID 63991259
1-benzofuran-2-yl-(5-chloro-2-methoxy-4-methylphenyl)methanamine
CID 67752088

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine (CID 105043942) is 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2cc3ccccc3o2)c(F)cc1F.
What is the InChIKey of 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is PUKUPWIJGXVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2NO/c1-9-6-11(13(18)8-12(9)17)16(19)15-7-10-4-2-3-5-14(10)20-15/h2-8,16H,19H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine?
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 273.28 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 105043942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).