(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine

C14H19NO — CID 62380139

IUPAC(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(C)(C)C)cc2cc(CN)oc12
InChIInChI=1S/C14H19NO/c1-9-5-11(14(2,3)4)6-10-7-12(8-15)16-13(9)10/h5-7H,8,15H2,1-4H3
InChIKeyYBQKVVUDOVKNRM-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.50
Rot. Bonds1

About (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine

(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 62380139) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine
PubChem CID62380139
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(C)(C)C)cc2cc(CN)oc12
InChIInChI=1S/C14H19NO/c1-9-5-11(14(2,3)4)6-10-7-12(8-15)16-13(9)10/h5-7H,8,15H2,1-4H3
InChIKeyYBQKVVUDOVKNRM-UHFFFAOYSA-N
XLogP3.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine (CID 62380139) is (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine is Cc1cc(C(C)(C)C)cc2cc(CN)oc12.
What is the InChIKey of (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is YBQKVVUDOVKNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-11(14(2,3)4)6-10-7-12(8-15)16-13(9)10/h5-7H,8,15H2,1-4H3.
What are the key properties of (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine?
(5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 217.31 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-7-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 62380139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).