2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine

C16H26N2O — CID 79188956

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(CN)N2CC(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-9-18(10-13(12)2)16(8-17)15-6-4-5-14(7-15)11-19-3/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyJLMKYQSNUNVRHB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.42
Rot. Bonds5

About 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine

2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine (PubChem CID 79188956) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine
PubChem CID79188956
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine
SMILESCOCc1cccc(C(CN)N2CC(C)C(C)C2)c1
InChIInChI=1S/C16H26N2O/c1-12-9-18(10-13(12)2)16(8-17)15-6-4-5-14(7-15)11-19-3/h4-7,12-13,16H,8-11,17H2,1-3H3
InChIKeyJLMKYQSNUNVRHB-UHFFFAOYSA-N
XLogP2.42
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine 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 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine (CID 79188956) is 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine is COCc1cccc(C(CN)N2CC(C)C(C)C2)c1.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine?
The InChIKey is JLMKYQSNUNVRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-9-18(10-13(12)2)16(8-17)15-6-4-5-14(7-15)11-19-3/h4-7,12-13,16H,8-11,17H2,1-3H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine?
2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-2-[3-(methoxymethyl)phenyl]ethanamine is sourced from PubChem (CID 79188956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).