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

C17H25NO — CID 104843012

IUPACN-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(C(C)C)cccc2c1CC
InChIInChI=1S/C17H25NO/c1-5-10-18-11-16-13(6-2)15-9-7-8-14(12(3)4)17(15)19-16/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyMDLWUVMDUZPWLZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.62
Rot. Bonds6

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

N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 104843012) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID104843012
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(C(C)C)cccc2c1CC
InChIInChI=1S/C17H25NO/c1-5-10-18-11-16-13(6-2)15-9-7-8-14(12(3)4)17(15)19-16/h7-9,12,18H,5-6,10-11H2,1-4H3
InChIKeyMDLWUVMDUZPWLZ-UHFFFAOYSA-N
XLogP4.62
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843086
N-[(7-propan-2-yl-3-propyl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 114376685
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104842849
N-[[3,7-di(propan-2-yl)-1-benzofuran-2-yl]methyl]ethanamine
CID 114376666
2-bromo-3-ethyl-7-propan-2-yl-1-benzofuran
CID 82379660
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149
N-[(3-methyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-2-amine
CID 81049925
3-ethyl-7-propan-2-yl-1-benzofuran-2-sulfonyl chloride
CID 82378293
N-[(3-propan-2-yl-7-propoxy-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376818
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 104843012) is N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2c(C(C)C)cccc2c1CC.
What is the InChIKey of N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is MDLWUVMDUZPWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-5-10-18-11-16-13(6-2)15-9-7-8-14(12(3)4)17(15)19-16/h7-9,12,18H,5-6,10-11H2,1-4H3.
What are the key properties of N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104843012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).