(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine

C14H19NO2 — CID 104708346

IUPAC(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2oc(CN)c(C(C)(C)C)c2c1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13-10-7-9(16-4)5-6-11(10)17-12(13)8-15/h5-7H,8,15H2,1-4H3
InChIKeyGGTOCZSUOQNEQE-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.20
Rot. Bonds2

About (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine

(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine (PubChem CID 104708346) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
PubChem CID104708346
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
SMILESCOc1ccc2oc(CN)c(C(C)(C)C)c2c1
InChIInChI=1S/C14H19NO2/c1-14(2,3)13-10-7-9(16-4)5-6-11(10)17-12(13)8-15/h5-7H,8,15H2,1-4H3
InChIKeyGGTOCZSUOQNEQE-UHFFFAOYSA-N
XLogP3.20
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3-tert-butyl-1-benzofuran-2-yl)methanamine
CID 62379957
2-[5-methoxy-2-[(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]ethanamine
CID 11121585
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
2-(2-benzyl-5-methoxy-1-benzofuran-3-yl)ethanamine
CID 11023552
N-[(5-methoxy-3-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 81048184
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
CID 131696400
(1S)-1-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethanamine
CID 28924769
2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-[2-(2,2-dimethylpropanoyl)-5-methoxy-1-benzofuran-3-yl]-2-propylhexanamide
CID 91255630
(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
CID 114376299
(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
CID 114375278
2-methoxy-7-methyldibenzofuran
CID 122387372

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine (CID 104708346) is (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine is COc1ccc2oc(CN)c(C(C)(C)C)c2c1.
What is the InChIKey of (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine?
The InChIKey is GGTOCZSUOQNEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)13-10-7-9(16-4)5-6-11(10)17-12(13)8-15/h5-7H,8,15H2,1-4H3.
What are the key properties of (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine?
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine has a molecular weight of 233.31 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 104708346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).