2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine

C14H19NO — CID 165468359

IUPAC2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine
SMILESCC(C)(C)c1ccc2cc(CCN)oc2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-5-4-10-8-12(6-7-15)16-13(10)9-11/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyLAEYXQJNDOGQLW-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.23
Rot. Bonds2

About 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine

2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine (PubChem CID 165468359) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine
PubChem CID165468359
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine
SMILESCC(C)(C)c1ccc2cc(CCN)oc2c1
InChIInChI=1S/C14H19NO/c1-14(2,3)11-5-4-10-8-12(6-7-15)16-13(10)9-11/h4-5,8-9H,6-7,15H2,1-3H3
InChIKeyLAEYXQJNDOGQLW-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-[6-(trifluoromethyl)-1-benzofuran-2-yl]ethanamine
CID 117122368
2-(6-bromo-1-benzofuran-2-yl)ethanamine
CID 71291046
2-[2-(2-aminoethylsulfanylmethyl)-1-benzofuran-6-yl]propan-2-amine
CID 70482672
3-(6-methyl-1-benzofuran-2-yl)propan-1-amine
CID 82504582
(6-tert-butyl-1-benzofuran-2-yl)-trimethylsilane
CID 62706531
[6-(3-aminopentan-3-yl)-1-benzofuran-2-yl]methanol
CID 70483149
7-tert-butyl-3-ethylchromen-2-one
CID 89010993
2-(aminomethyl)-1-benzofuran-6-amine
CID 45122675
3-(2-aminoethyl)-7-(4-tert-butylanilino)chromen-2-one
CID 167300483
5-tert-butyl-2-(chloromethyl)-1-benzofuran
CID 46398310
2,2-dimethyl-3-[6-(trifluoromethyl)-1-benzofuran-2-yl]propanoic acid
CID 117195729
2-(1-benzofuran-2-yl)ethyl 4-tert-butylbenzoate
CID 23992796

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine (CID 165468359) is 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine is CC(C)(C)c1ccc2cc(CCN)oc2c1.
What is the InChIKey of 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is LAEYXQJNDOGQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-14(2,3)11-5-4-10-8-12(6-7-15)16-13(10)9-11/h4-5,8-9H,6-7,15H2,1-3H3.
What are the key properties of 2-(6-tert-butyl-1-benzofuran-2-yl)ethanamine?
2-(6-tert-butyl-1-benzofuran-2-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-(6-tert-butyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 165468359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).