N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine

C18H27NO2 — CID 114376818

IUPACN-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(OCCC)cccc2c1C(C)C
InChIInChI=1S/C18H27NO2/c1-5-10-19-12-16-17(13(3)4)14-8-7-9-15(18(14)21-16)20-11-6-2/h7-9,13,19H,5-6,10-12H2,1-4H3
InChIKeyUBOFIVNBZPSJIY-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.84
Rot. Bonds8

About N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine

N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 114376818) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID114376818
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(OCCC)cccc2c1C(C)C
InChIInChI=1S/C18H27NO2/c1-5-10-19-12-16-17(13(3)4)14-8-7-9-15(18(14)21-16)20-11-6-2/h7-9,13,19H,5-6,10-12H2,1-4H3
InChIKeyUBOFIVNBZPSJIY-UHFFFAOYSA-N
XLogP4.84
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-tert-butyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 114376824
N-[(7-methoxy-5-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114375018
N-[(6-chloro-7-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377730
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
N-[1-(3-methyl-7-propoxy-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 61281326
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(7-chloro-5-fluoro-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114377094
1-(3-cyclopropyl-7-propoxy-1-benzofuran-2-yl)-N-methylmethanamine
CID 114376817
N-[(4-fluoro-7-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 102990738
N-[[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376491

Frequently Asked Questions

What is the IUPAC name of N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine (CID 114376818) is N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2c(OCCC)cccc2c1C(C)C.
What is the InChIKey of N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is UBOFIVNBZPSJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-10-19-12-16-17(13(3)4)14-8-7-9-15(18(14)21-16)20-11-6-2/h7-9,13,19H,5-6,10-12H2,1-4H3.
What are the key properties of N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 114376818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).