[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

C16H15F2NO — CID 104703465

IUPAC[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCc1cc(-c2cc(CN)c3c(c2)CCO3)c(F)cc1F
InChIInChI=1S/C16H15F2NO/c1-9-4-13(15(18)7-14(9)17)11-5-10-2-3-20-16(10)12(6-11)8-19/h4-7H,2-3,8,19H2,1H3
InChIKeyCSKIQWDYXDYQDG-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.33
Rot. Bonds2

About [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine

[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (PubChem CID 104703465) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
PubChem CID104703465
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine
SMILESCc1cc(-c2cc(CN)c3c(c2)CCO3)c(F)cc1F
InChIInChI=1S/C16H15F2NO/c1-9-4-13(15(18)7-14(9)17)11-5-10-2-3-20-16(10)12(6-11)8-19/h4-7H,2-3,8,19H2,1H3
InChIKeyCSKIQWDYXDYQDG-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The IUPAC name of [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine (CID 104703465) is [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The canonical SMILES for [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is Cc1cc(-c2cc(CN)c3c(c2)CCO3)c(F)cc1F.
What is the InChIKey of [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
The InChIKey is CSKIQWDYXDYQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-9-4-13(15(18)7-14(9)17)11-5-10-2-3-20-16(10)12(6-11)8-19/h4-7H,2-3,8,19H2,1H3.
What are the key properties of [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine?
[5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine has a molecular weight of 275.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluoro-5-methylphenyl)-2,3-dihydro-1-benzofuran-7-yl]methanamine is sourced from PubChem (CID 104703465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).