2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine

C14H19NO — CID 84683071

IUPAC2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
SMILESCC(C)(C)c1cc2cc(CCN)ccc2o1
InChIInChI=1S/C14H19NO/c1-14(2,3)13-9-11-8-10(6-7-15)4-5-12(11)16-13/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyRDMHRTUNCTVZTC-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine

2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine (PubChem CID 84683071) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
PubChem CID84683071
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine
SMILESCC(C)(C)c1cc2cc(CCN)ccc2o1
InChIInChI=1S/C14H19NO/c1-14(2,3)13-9-11-8-10(6-7-15)4-5-12(11)16-13/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyRDMHRTUNCTVZTC-UHFFFAOYSA-N
XLogP3.23
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-benzofuran-5-amine
CID 123538577
2-(2-bromo-1-benzofuran-5-yl)ethanamine
CID 83898777
2-[6-(2-aminoethyl)naphthalen-2-yl]ethanamine
CID 20633654
3-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-amine
CID 114735490
2-(5-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735425
2-iodo-5-propyl-1-benzofuran
CID 86051258
1-amino-2-(5-chloro-1-benzofuran-2-yl)-3,3-dimethylbutan-2-ol
CID 114724598
5-(2-aminoethyl)-1,3-benzodioxol-2-one
CID 84656757
2-(3-tert-butyl-1,2-benzoxazol-6-yl)ethanamine
CID 105472824
1-(5-propyl-1-benzofuran-2-yl)ethanamine
CID 65439611
4-(2-aminoethyl)-2-tert-butylphenol
CID 82263790
5-tert-butyl-2-(trifluoromethyl)-1-benzofuran
CID 171548664

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine?
The IUPAC name of 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine (CID 84683071) is 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine.
What is the SMILES notation for 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine?
The canonical SMILES for 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine is CC(C)(C)c1cc2cc(CCN)ccc2o1.
What is the InChIKey of 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine?
The InChIKey is RDMHRTUNCTVZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)13-9-11-8-10(6-7-15)4-5-12(11)16-13/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine?
2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine has a molecular weight of 217.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1-benzofuran-5-yl)ethanamine is sourced from PubChem (CID 84683071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).