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

C16H19NO2 — CID 107293503

IUPAC(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)co1
InChIInChI=1S/C16H19NO2/c1-10-6-12(8-18-10)15(17)11-4-5-14-13(7-11)16(2,3)9-19-14/h4-8,15H,9,17H2,1-3H3
InChIKeyGUZFMPQNKUDJCF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.31
Rot. Bonds2

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

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine (PubChem CID 107293503) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
PubChem CID107293503
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)co1
InChIInChI=1S/C16H19NO2/c1-10-6-12(8-18-10)15(17)11-4-5-14-13(7-11)16(2,3)9-19-14/h4-8,15H,9,17H2,1-3H3
InChIKeyGUZFMPQNKUDJCF-UHFFFAOYSA-N
XLogP3.31
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4-methylsulfanylphenyl)methanamine
CID 107293403
(5-chlorofuran-2-yl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293504
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 107293519
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)propan-1-amine
CID 107293478
(2-bromophenyl)-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293441
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(2-iodophenyl)methanamine
CID 107293573
cyclobutyl-(3,3-dimethyl-2H-1-benzofuran-5-yl)methanamine
CID 107293439
(3-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-(5-methylfuran-3-yl)methanamine
CID 114820265
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)hexan-1-amine
CID 107293547
5-(1-bromo-2-methylpropyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294445
1-(3,3-dimethyl-2H-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanamine
CID 107293388
(5-methylfuran-3-yl)-(4-propan-2-ylphenyl)methanamine
CID 114820136

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine?
The IUPAC name of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine (CID 107293503) is (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine is Cc1cc(C(N)c2ccc3c(c2)C(C)(C)CO3)co1.
What is the InChIKey of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine?
The InChIKey is GUZFMPQNKUDJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10-6-12(8-18-10)15(17)11-4-5-14-13(7-11)16(2,3)9-19-14/h4-8,15H,9,17H2,1-3H3.
What are the key properties of (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine?
(3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine has a molecular weight of 257.33 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2H-1-benzofuran-5-yl)-(5-methylfuran-3-yl)methanamine is sourced from PubChem (CID 107293503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).