(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine

C17H21NO2 — CID 62324505

IUPAC(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CC(C)(C)O3)c(C)o1
InChIInChI=1S/C17H21NO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9,18H2,1-4H3
InChIKeyUAQGMTSFEDCHET-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.66
Rot. Bonds2

About (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine

(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 62324505) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID62324505
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)CC(C)(C)O3)c(C)o1
InChIInChI=1S/C17H21NO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9,18H2,1-4H3
InChIKeyUAQGMTSFEDCHET-UHFFFAOYSA-N
XLogP3.66
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine (CID 62324505) is (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2ccc3c(c2)CC(C)(C)O3)c(C)o1.
What is the InChIKey of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is UAQGMTSFEDCHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-10-7-14(11(2)19-10)16(18)12-5-6-15-13(8-12)9-17(3,4)20-15/h5-8,16H,9,18H2,1-4H3.
What are the key properties of (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine?
(2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-3H-1-benzofuran-5-yl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 62324505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).