[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine

C15H17NO2 — CID 107293956

IUPAC[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine
SMILESCC1(C)COc2ccc(-c3ccc(CN)o3)cc21
InChIInChI=1S/C15H17NO2/c1-15(2)9-17-14-5-3-10(7-12(14)15)13-6-4-11(8-16)18-13/h3-7H,8-9,16H2,1-2H3
InChIKeyHVSKHNBBAYCTAM-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.08
Rot. Bonds2

About [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine

[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine (PubChem CID 107293956) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine
PubChem CID107293956
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine
SMILESCC1(C)COc2ccc(-c3ccc(CN)o3)cc21
InChIInChI=1S/C15H17NO2/c1-15(2)9-17-14-5-3-10(7-12(14)15)13-6-4-11(8-16)18-13/h3-7H,8-9,16H2,1-2H3
InChIKeyHVSKHNBBAYCTAM-UHFFFAOYSA-N
XLogP3.08
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine (CID 107293956) is [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine is CC1(C)COc2ccc(-c3ccc(CN)o3)cc21.
What is the InChIKey of [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine?
The InChIKey is HVSKHNBBAYCTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-15(2)9-17-14-5-3-10(7-12(14)15)13-6-4-11(8-16)18-13/h3-7H,8-9,16H2,1-2H3.
What are the key properties of [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine?
[5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,3-dimethyl-2H-1-benzofuran-5-yl)furan-2-yl]methanamine is sourced from PubChem (CID 107293956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).