N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine

C17H22N2O — CID 81302357

IUPACN-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NC(c2ccccc2)c2ccco2)CN1C
InChIInChI=1S/C17H22N2O/c1-13-11-15(12-19(13)2)18-17(16-9-6-10-20-16)14-7-4-3-5-8-14/h3-10,13,15,17-18H,11-12H2,1-2H3
InChIKeyFTKRNRWEVRJOCJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.05
Rot. Bonds4

About N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine

N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81302357) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
PubChem CID81302357
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(NC(c2ccccc2)c2ccco2)CN1C
InChIInChI=1S/C17H22N2O/c1-13-11-15(12-19(13)2)18-17(16-9-6-10-20-16)14-7-4-3-5-8-14/h3-10,13,15,17-18H,11-12H2,1-2H3
InChIKeyFTKRNRWEVRJOCJ-UHFFFAOYSA-N
XLogP3.05
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine (CID 81302357) is N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine is CC1CC(NC(c2ccccc2)c2ccco2)CN1C.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is FTKRNRWEVRJOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-11-15(12-19(13)2)18-17(16-9-6-10-20-16)14-7-4-3-5-8-14/h3-10,13,15,17-18H,11-12H2,1-2H3.
What are the key properties of N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine?
N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 270.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81302357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).