N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

C18H27NO2 — CID 107669960

IUPACN-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(OC)cc(CC)cc2c1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-7-12-9-13-16(18(3,4)5)15(11-19-8-2)21-17(13)14(10-12)20-6/h9-10,19H,7-8,11H2,1-6H3
InChIKeyDBZALJPQJQRZQC-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.41
Rot. Bonds5

About N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine

N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 107669960) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID107669960
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCNCc1oc2c(OC)cc(CC)cc2c1C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-7-12-9-13-16(18(3,4)5)15(11-19-8-2)21-17(13)14(10-12)20-6/h9-10,19H,7-8,11H2,1-6H3
InChIKeyDBZALJPQJQRZQC-UHFFFAOYSA-N
XLogP4.41
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methanamine
CID 107669974
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
[5-ethyl-7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 107669939
(5-ethyl-7-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 107669955
N-[(5-ethyl-7-methoxy-1-benzofuran-3-yl)methyl]-2-methoxyethanamine
CID 107669334
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377629
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[[7-tert-butyl-3-(methoxymethyl)-5-methyl-1-benzofuran-2-yl]methyl]ethanamine
CID 114375517
N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375018
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[(3-tert-butyl-7-methyl-4-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377127
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 107669960) is N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is CCNCc1oc2c(OC)cc(CC)cc2c1C(C)(C)C.
What is the InChIKey of N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is DBZALJPQJQRZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-7-12-9-13-16(18(3,4)5)15(11-19-8-2)21-17(13)14(10-12)20-6/h9-10,19H,7-8,11H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 107669960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).