N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine

C22H31N3O — CID 172512555

IUPACN-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine
SMILESCCOC[C@]1(CCc2ccccc2)CCN(N(C)c2ccc(C)nc2)C1
InChIInChI=1S/C22H31N3O/c1-4-26-18-22(13-12-20-8-6-5-7-9-20)14-15-25(17-22)24(3)21-11-10-19(2)23-16-21/h5-11,16H,4,12-15,17-18H2,1-3H3/t22-/m1/s1
InChIKeyCHWGCRIKAMVTST-JOCHJYFZSA-N
MW353.51 g/mol
LogP4.10
Rot. Bonds8

About N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine

N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine (PubChem CID 172512555) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine
PubChem CID172512555
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine
SMILESCCOC[C@]1(CCc2ccccc2)CCN(N(C)c2ccc(C)nc2)C1
InChIInChI=1S/C22H31N3O/c1-4-26-18-22(13-12-20-8-6-5-7-9-20)14-15-25(17-22)24(3)21-11-10-19(2)23-16-21/h5-11,16H,4,12-15,17-18H2,1-3H3/t22-/m1/s1
InChIKeyCHWGCRIKAMVTST-JOCHJYFZSA-N
XLogP4.10
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-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-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine?
The IUPAC name of N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine (CID 172512555) is N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine.
What is the SMILES notation for N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine?
The canonical SMILES for N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine is CCOC[C@]1(CCc2ccccc2)CCN(N(C)c2ccc(C)nc2)C1.
What is the InChIKey of N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine?
The InChIKey is CHWGCRIKAMVTST-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H31N3O/c1-4-26-18-22(13-12-20-8-6-5-7-9-20)14-15-25(17-22)24(3)21-11-10-19(2)23-16-21/h5-11,16H,4,12-15,17-18H2,1-3H3/t22-/m1/s1.
What are the key properties of N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine?
N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine has a molecular weight of 353.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-3-(ethoxymethyl)-3-(2-phenylethyl)pyrrolidin-1-yl]-N,6-dimethylpyridin-3-amine is sourced from PubChem (CID 172512555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).