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

C17H25NO2 — CID 114375278

IUPAC(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(C(C)(C)C)c2oc(CN)c(C(C)C)c2c1
InChIInChI=1S/C17H25NO2/c1-10(2)15-12-7-11(19-6)8-13(17(3,4)5)16(12)20-14(15)9-18/h7-8,10H,9,18H2,1-6H3
InChIKeyZVYGUISFBZSKML-UHFFFAOYSA-N
MW275.39 g/mol
LogP4.32
Rot. Bonds3

About (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine

(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine (PubChem CID 114375278) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
PubChem CID114375278
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine
SMILESCOc1cc(C(C)(C)C)c2oc(CN)c(C(C)C)c2c1
InChIInChI=1S/C17H25NO2/c1-10(2)15-12-7-11(19-6)8-13(17(3,4)5)16(12)20-14(15)9-18/h7-8,10H,9,18H2,1-6H3
InChIKeyZVYGUISFBZSKML-UHFFFAOYSA-N
XLogP4.32
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-tert-butyl-3-cyclopropyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 114375282
3-(3-tert-butyl-2,5-dimethoxyphenyl)butan-1-amine
CID 117418125
(3-tert-butyl-5-methoxy-1-benzofuran-2-yl)methanamine
CID 104708346
(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
(6-methoxy-1-methyl-3-propan-2-ylindol-2-yl)methanamine
CID 84627120
2-(2-amino-1-hydroxyethyl)-6-tert-butyl-4-methoxyphenol
CID 117351397
(3-tert-butyl-2,5-dimethoxyphenyl)methyl-chloro-dimethylsilane
CID 139965190
2,6-ditert-butyl-4-methoxyphenol
CID 10269
2-amino-2-(3-tert-butyl-2,5-dimethoxyphenyl)ethanol
CID 117386585
4-tert-butyl-6-[2-[3,5-dimethyl-2-(2,4,8,10-tetramethylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyphenyl]-4,6-dimethylphenoxy]-2,10-dimethoxy-8-propan-2-ylbenzo[d][1,3,2]benzodioxaphosphepine
CID 121476390
4,8-ditert-butyl-6-(2-ethoxyphenoxy)-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepine
CID 67613320
(5-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)methanamine
CID 117465374

Frequently Asked Questions

What is the IUPAC name of (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The IUPAC name of (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine (CID 114375278) is (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine is COc1cc(C(C)(C)C)c2oc(CN)c(C(C)C)c2c1.
What is the InChIKey of (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
The InChIKey is ZVYGUISFBZSKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-10(2)15-12-7-11(19-6)8-13(17(3,4)5)16(12)20-14(15)9-18/h7-8,10H,9,18H2,1-6H3.
What are the key properties of (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine?
(7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine has a molecular weight of 275.39 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-tert-butyl-5-methoxy-3-propan-2-yl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114375278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).