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

C18H27NO2 — CID 114376824

IUPACN-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCOc1cccc2c(C(C)(C)C)c(CNCC)oc12
InChIInChI=1S/C18H27NO2/c1-6-11-20-14-10-8-9-13-16(18(3,4)5)15(12-19-7-2)21-17(13)14/h8-10,19H,6-7,11-12H2,1-5H3
InChIKeyUVXOHHJAAUSOCS-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.63
Rot. Bonds6

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

N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 114376824) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
PubChem CID114376824
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
SMILESCCCOc1cccc2c(C(C)(C)C)c(CNCC)oc12
InChIInChI=1S/C18H27NO2/c1-6-11-20-14-10-8-9-13-16(18(3,4)5)15(12-19-7-2)21-17(13)14/h8-10,19H,6-7,11-12H2,1-5H3
InChIKeyUVXOHHJAAUSOCS-UHFFFAOYSA-N
XLogP4.63
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(3-tert-butyl-5-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 107669960
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
7-propoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 114358931
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104842810
N-[(5-butyl-3-tert-butyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114377629
N-[(7-chloro-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81047321

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine (CID 114376824) is N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine is CCCOc1cccc2c(C(C)(C)C)c(CNCC)oc12.
What is the InChIKey of N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
The InChIKey is UVXOHHJAAUSOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-11-20-14-10-8-9-13-16(18(3,4)5)15(12-19-7-2)21-17(13)14/h8-10,19H,6-7,11-12H2,1-5H3.
What are the key properties of N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine?
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 289.42 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 114376824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).