1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

C19H29NO — CID 63398731

IUPAC1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(C(C)(C)C)cc(CC)cc2c1C
InChIInChI=1S/C19H29NO/c1-8-14-10-15-12(3)17(13(4)20-9-2)21-18(15)16(11-14)19(5,6)7/h10-11,13,20H,8-9H2,1-7H3
InChIKeyOUYCVSYGUNTIDE-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.27
Rot. Bonds4

About 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine

1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (PubChem CID 63398731) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
PubChem CID63398731
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
SMILESCCNC(C)c1oc2c(C(C)(C)C)cc(CC)cc2c1C
InChIInChI=1S/C19H29NO/c1-8-14-10-15-12(3)17(13(4)20-9-2)21-18(15)16(11-14)19(5,6)7/h10-11,13,20H,8-9H2,1-7H3
InChIKeyOUYCVSYGUNTIDE-UHFFFAOYSA-N
XLogP5.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.27
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-(5-bromo-7-fluoro-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 61281522
N-[1-(5-tert-butyl-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398943
1-(5,7-ditert-butyl-3-methyl-1-benzofuran-2-yl)ethanamine
CID 43332526
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine
CID 107667356
N-[1-(5-bromo-3,7-dimethyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 63398521
7-tert-butyl-5-ethyl-3-(methoxymethyl)-1-benzofuran-2-carboxylic acid
CID 114359039
7-tert-butyl-5-ethyl-3H-1,3-benzoxazol-2-one
CID 62369360
N-[1-(7-iodo-3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 55185952
1-(2-tert-butylphenyl)-N-ethylethanamine
CID 115765369
1-(7-tert-butyl-5-ethyl-1-benzofuran-2-yl)butan-1-amine
CID 65438290
(2,6-ditert-butyl-4-ethylphenyl)hydrazine
CID 152658063

Frequently Asked Questions

What is the IUPAC name of 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine (CID 63398731) is 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is CCNC(C)c1oc2c(C(C)(C)C)cc(CC)cc2c1C.
What is the InChIKey of 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
The InChIKey is OUYCVSYGUNTIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-8-14-10-15-12(3)17(13(4)20-9-2)21-18(15)16(11-14)19(5,6)7/h10-11,13,20H,8-9H2,1-7H3.
What are the key properties of 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine?
1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine has a molecular weight of 287.45 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-yl)-N-ethylethanamine is sourced from PubChem (CID 63398731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).