N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C15H19F2NO — CID 104843151

IUPACN-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(F)c(F)ccc12
InChIInChI=1S/C15H19F2NO/c1-5-9-10-6-7-11(16)13(17)14(10)19-12(9)8-18-15(2,3)4/h6-7,18H,5,8H2,1-4H3
InChIKeyITRJHVPUIWGKBS-UHFFFAOYSA-N
MW267.32 g/mol
LogP4.16
Rot. Bonds3

About N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 104843151) has the molecular formula C15H19F2NO and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID104843151
Molecular FormulaC15H19F2NO
Molecular Weight267.32 g/mol
Exact Mass267.14
IUPAC NameN-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(F)c(F)ccc12
InChIInChI=1S/C15H19F2NO/c1-5-9-10-6-7-11(16)13(17)14(10)19-12(9)8-18-15(2,3)4/h6-7,18H,5,8H2,1-4H3
InChIKeyITRJHVPUIWGKBS-UHFFFAOYSA-N
XLogP4.16
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 104843151) is N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)oc2c(F)c(F)ccc12.
What is the InChIKey of N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is ITRJHVPUIWGKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO/c1-5-9-10-6-7-11(16)13(17)14(10)19-12(9)8-18-15(2,3)4/h6-7,18H,5,8H2,1-4H3.
What are the key properties of N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 267.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104843151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).