N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

C14H19NO2 — CID 65440527

IUPACN-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCOc1ccc2oc(CNCC(C)C)cc2c1
InChIInChI=1S/C14H19NO2/c1-10(2)8-15-9-13-7-11-6-12(16-3)4-5-14(11)17-13/h4-7,10,15H,8-9H2,1-3H3
InChIKeySDTJDHJRQNZXQZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.19
Rot. Bonds5

About N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine

N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65440527) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
PubChem CID65440527
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
SMILESCOc1ccc2oc(CNCC(C)C)cc2c1
InChIInChI=1S/C14H19NO2/c1-10(2)8-15-9-13-7-11-6-12(16-3)4-5-14(11)17-13/h4-7,10,15H,8-9H2,1-3H3
InChIKeySDTJDHJRQNZXQZ-UHFFFAOYSA-N
XLogP3.19
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine (CID 65440527) is N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is COc1ccc2oc(CNCC(C)C)cc2c1.
What is the InChIKey of N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SDTJDHJRQNZXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)8-15-9-13-7-11-6-12(16-3)4-5-14(11)17-13/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine?
N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 233.31 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 65440527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).