N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

C16H23NO2 — CID 104842810

IUPACN-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(OC)cccc12
InChIInChI=1S/C16H23NO2/c1-6-11-12-8-7-9-13(18-5)15(12)19-14(11)10-17-16(2,3)4/h7-9,17H,6,10H2,1-5H3
InChIKeyZDUGYSRBIFYLJE-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.89
Rot. Bonds4

About N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine

N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 104842810) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID104842810
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
SMILESCCc1c(CNC(C)(C)C)oc2c(OC)cccc12
InChIInChI=1S/C16H23NO2/c1-6-11-12-8-7-9-13(18-5)15(12)19-14(11)10-17-16(2,3)4/h7-9,17H,6,10H2,1-5H3
InChIKeyZDUGYSRBIFYLJE-UHFFFAOYSA-N
XLogP3.89
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114375085
N-[(3-ethyl-6,7-difluoro-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843151
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
1-[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]-N-methylmethanamine
CID 114375073
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491
N-[(4-chloro-3-ethyl-7-methyl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843191
1-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
[7-methoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methanamine
CID 114375077
N-[(5-bromo-3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine
CID 104843212
2-methyl-N-[(4,5,7-trichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 104842863

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine (CID 104842810) is N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is CCc1c(CNC(C)(C)C)oc2c(OC)cccc12.
What is the InChIKey of N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is ZDUGYSRBIFYLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-6-11-12-8-7-9-13(18-5)15(12)19-14(11)10-17-16(2,3)4/h7-9,17H,6,10H2,1-5H3.
What are the key properties of N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine?
N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-7-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104842810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).