N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine

C16H23NO2 — CID 80701629

IUPACN-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-13(2)11-18-9-5-8-17-10-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3
InChIKeyJLJNAEKCGQEVCP-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.59
Rot. Bonds8

About N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine

N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine (PubChem CID 80701629) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
PubChem CID80701629
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCCCNCc1coc2ccccc12
InChIInChI=1S/C16H23NO2/c1-13(2)11-18-9-5-8-17-10-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3
InChIKeyJLJNAEKCGQEVCP-UHFFFAOYSA-N
XLogP3.59
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.59
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-(1-benzofuran-3-ylmethyl)-5-methylhexan-1-amine
CID 113287372
N-(1-benzofuran-3-ylmethyl)-3-chloropropan-1-amine
CID 115215675
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163
N-(1H-indol-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 55021174
N-[(2-fluorophenyl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 28681841
N-(1-benzofuran-3-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 80701115
N-[(1-methylindol-3-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 107234778
3-(2-methylpropoxy)-N-[(2-nitrophenyl)methyl]propan-1-amine
CID 28681887
1-(1-benzofuran-3-yl)-N-(methoxymethyl)methanamine
CID 115258609
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
N-(1-benzofuran-3-ylmethyl)-1-(2-chlorophenyl)methanamine
CID 78963648

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine (CID 80701629) is N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine is CC(C)COCCCNCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is JLJNAEKCGQEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(2)11-18-9-5-8-17-10-14-12-19-16-7-4-3-6-15(14)16/h3-4,6-7,12-13,17H,5,8-11H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine?
N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 80701629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).