N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine

C17H18N2O — CID 62976689

IUPACN-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C17H18N2O/c1-19-9-8-13(11-19)18-12-6-7-17-15(10-12)14-4-2-3-5-16(14)20-17/h2-7,10,13,18H,8-9,11H2,1H3
InChIKeyGVXPEOFQSYAMGJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.70
Rot. Bonds2

About N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine

N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine (PubChem CID 62976689) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine
PubChem CID62976689
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine
SMILESCN1CCC(Nc2ccc3oc4ccccc4c3c2)C1
InChIInChI=1S/C17H18N2O/c1-19-9-8-13(11-19)18-12-6-7-17-15(10-12)14-4-2-3-5-16(14)20-17/h2-7,10,13,18H,8-9,11H2,1H3
InChIKeyGVXPEOFQSYAMGJ-UHFFFAOYSA-N
XLogP3.70
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine?
The IUPAC name of N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine (CID 62976689) is N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine.
What is the SMILES notation for N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine?
The canonical SMILES for N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine is CN1CCC(Nc2ccc3oc4ccccc4c3c2)C1.
What is the InChIKey of N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine?
The InChIKey is GVXPEOFQSYAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19-9-8-13(11-19)18-12-6-7-17-15(10-12)14-4-2-3-5-16(14)20-17/h2-7,10,13,18H,8-9,11H2,1H3.
What are the key properties of N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine?
N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine has a molecular weight of 266.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-2-yl-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 62976689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).