N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline

C23H32N2O — CID 4713266

IUPACN-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline
SMILESCC(C)COCC(C(Nc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C23H32N2O/c1-19(2)17-26-18-22(25-15-9-10-16-25)23(20-11-5-3-6-12-20)24-21-13-7-4-8-14-21/h3-8,11-14,19,22-24H,9-10,15-18H2,1-2H3
InChIKeyVUYCQNMLJHMMBY-UHFFFAOYSA-N
MW352.52 g/mol
LogP4.98
Rot. Bonds9

About N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline

N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline (PubChem CID 4713266) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline.

Molecular Properties

Compound NameN-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline
PubChem CID4713266
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC NameN-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline
SMILESCC(C)COCC(C(Nc1ccccc1)c1ccccc1)N1CCCC1
InChIInChI=1S/C23H32N2O/c1-19(2)17-26-18-22(25-15-9-10-16-25)23(20-11-5-3-6-12-20)24-21-13-7-4-8-14-21/h3-8,11-14,19,22-24H,9-10,15-18H2,1-2H3
InChIKeyVUYCQNMLJHMMBY-UHFFFAOYSA-N
XLogP4.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline 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-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline?
The IUPAC name of N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline (CID 4713266) is N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline.
What is the SMILES notation for N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline?
The canonical SMILES for N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline is CC(C)COCC(C(Nc1ccccc1)c1ccccc1)N1CCCC1.
What is the InChIKey of N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline?
The InChIKey is VUYCQNMLJHMMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-19(2)17-26-18-22(25-15-9-10-16-25)23(20-11-5-3-6-12-20)24-21-13-7-4-8-14-21/h3-8,11-14,19,22-24H,9-10,15-18H2,1-2H3.
What are the key properties of N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline?
N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline has a molecular weight of 352.52 g/mol, XLogP of 4.98, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylpropoxy)-1-phenyl-2-pyrrolidin-1-ylpropyl]aniline is sourced from PubChem (CID 4713266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).