N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine

C14H18N2O — CID 54950067

IUPACN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyNVDCCOUZBGXWMY-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine

N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine (PubChem CID 54950067) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
PubChem CID54950067
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine
SMILESCN1CCC(NCc2cc3ccccc3o2)C1
InChIInChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3
InChIKeyNVDCCOUZBGXWMY-UHFFFAOYSA-N
XLogP2.23
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine (CID 54950067) is N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine is CN1CCC(NCc2cc3ccccc3o2)C1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
The InChIKey is NVDCCOUZBGXWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16-7-6-12(10-16)15-9-13-8-11-4-2-3-5-14(11)17-13/h2-5,8,12,15H,6-7,9-10H2,1H3.
What are the key properties of N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine?
N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine has a molecular weight of 230.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 54950067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).