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

C16H23NO — CID 104843086

IUPACN-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(CC)cccc2c1CC
InChIInChI=1S/C16H23NO/c1-4-10-17-11-15-13(6-3)14-9-7-8-12(5-2)16(14)18-15/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyXHRVMJICPFCBLK-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.06
Rot. Bonds6

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

N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine (PubChem CID 104843086) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
PubChem CID104843086
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine
SMILESCCCNCc1oc2c(CC)cccc2c1CC
InChIInChI=1S/C16H23NO/c1-4-10-17-11-15-13(6-3)14-9-7-8-12(5-2)16(14)18-15/h7-9,17H,4-6,10-11H2,1-3H3
InChIKeyXHRVMJICPFCBLK-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.06
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-(3,7-diethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843083
N-[(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104843012
N-[(3-cyclopropyl-7-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 114376967
N-[(6,7-dichloro-3-ethyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 104842849
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]-2-methylpropan-1-amine
CID 114376971
N-[[7-ethyl-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-2-amine
CID 114376989
N-[[7-methoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114375084
N-[(3-ethyl-7-propoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 104843048
N-[(3-ethyl-7-phenyl-1-benzofuran-2-yl)methyl]ethanamine
CID 104842836
1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine
CID 113459839
N-[[6,7-difluoro-3-(2-methylpropyl)-1-benzofuran-2-yl]methyl]propan-1-amine
CID 114377274
1-(7-ethoxy-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104842971

Frequently Asked Questions

What is the IUPAC name of N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine (CID 104843086) is N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine is CCCNCc1oc2c(CC)cccc2c1CC.
What is the InChIKey of N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
The InChIKey is XHRVMJICPFCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-4-10-17-11-15-13(6-3)14-9-7-8-12(5-2)16(14)18-15/h7-9,17H,4-6,10-11H2,1-3H3.
What are the key properties of N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine?
N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,7-diethyl-1-benzofuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 104843086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).