1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine

C19H29NO — CID 43332526

IUPAC1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)N)oc2c(C(C)(C)C)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H29NO/c1-11-14-9-13(18(3,4)5)10-15(19(6,7)8)17(14)21-16(11)12(2)20/h9-10,12H,20H2,1-8H3
InChIKeyQSAFTWUFSPXMRQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.36
Rot. Bonds1

About 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine

1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine (PubChem CID 43332526) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine.

Molecular Properties

Compound Name1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
PubChem CID43332526
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
SMILESCc1c(C(C)N)oc2c(C(C)(C)C)cc(C(C)(C)C)cc12
InChIInChI=1S/C19H29NO/c1-11-14-9-13(18(3,4)5)10-15(19(6,7)8)17(14)21-16(11)12(2)20/h9-10,12H,20H2,1-8H3
InChIKeyQSAFTWUFSPXMRQ-UHFFFAOYSA-N
XLogP5.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-tert-butyl-3,5-dimethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 63398518
1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 63398731
1-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxyethanamine
CID 159117358
1-(7-methoxy-3,5-dimethyl-1-benzofuran-2-yl)ethanamine;hydrochloride
CID 54595179
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
5,7-ditert-butyl-3-phenyl-1-benzofuran-2-amine
CID 11393088
6,8-ditert-butyl-4-oxochromene-2-carboxylate
CID 6919022
3-(2-bromophenyl)-5,7-ditert-butyl-1-benzofuran-2-amine
CID 21133201
2,4-ditert-butyl-6-(4-methylphenyl)dibenzofuran
CID 176635328
3,5-ditert-butyl-2-methylaniline
CID 143364631
5,7-ditert-butyl-9-oxoxanthene-2-carboxylic acid
CID 12825848
3-amino-6,8-ditert-butylchromen-4-one
CID 102172550

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine?
The IUPAC name of 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine (CID 43332526) is 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine.
What is the SMILES notation for 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine?
The canonical SMILES for 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine is Cc1c(C(C)N)oc2c(C(C)(C)C)cc(C(C)(C)C)cc12.
What is the InChIKey of 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine?
The InChIKey is QSAFTWUFSPXMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-11-14-9-13(18(3,4)5)10-15(19(6,7)8)17(14)21-16(11)12(2)20/h9-10,12H,20H2,1-8H3.
What are the key properties of 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine?
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine has a molecular weight of 287.45 g/mol, XLogP of 5.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine is sourced from PubChem (CID 43332526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).