N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine

C18H27NO2 — CID 114376303

IUPACN-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCOc1ccc2oc(CNC(C)C)c(CC(C)C)c2c1
InChIInChI=1S/C18H27NO2/c1-6-20-14-7-8-17-16(10-14)15(9-12(2)3)18(21-17)11-19-13(4)5/h7-8,10,12-13,19H,6,9,11H2,1-5H3
InChIKeyYCBCSADFOIBGPI-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.53
Rot. Bonds7

About N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine

N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine (PubChem CID 114376303) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
PubChem CID114376303
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
SMILESCCOc1ccc2oc(CNC(C)C)c(CC(C)C)c2c1
InChIInChI=1S/C18H27NO2/c1-6-20-14-7-8-17-16(10-14)15(9-12(2)3)18(21-17)11-19-13(4)5/h7-8,10,12-13,19H,6,9,11H2,1-5H3
InChIKeyYCBCSADFOIBGPI-UHFFFAOYSA-N
XLogP4.53
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-bromo-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376858
N-[[5-iodo-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114375703
1-(5-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459832
N-[(5-ethoxy-3-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 81049006
N-[[3-(ethoxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 62443711
N-[(5-butan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 107669906
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[[5-bromo-7-chloro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376058
4-ethoxy-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 115602892
N-[[3-(pentan-2-yloxymethyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 102986880
5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
(3-cyclopropyl-5-ethoxy-1-benzofuran-2-yl)methanamine
CID 114376299

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine (CID 114376303) is N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine is CCOc1ccc2oc(CNC(C)C)c(CC(C)C)c2c1.
What is the InChIKey of N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
The InChIKey is YCBCSADFOIBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-6-20-14-7-8-17-16(10-14)15(9-12(2)3)18(21-17)11-19-13(4)5/h7-8,10,12-13,19H,6,9,11H2,1-5H3.
What are the key properties of N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine?
N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine has a molecular weight of 289.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethoxy-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 114376303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).