2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

C14H20Cl2N2 — CID 63216072

IUPAC2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-14(2)4-3-5-18(14)13(9-17)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3
InChIKeyVFBROAIBCXFADF-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.87
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine

2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 63216072) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID63216072
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1(C)CCCN1C(CN)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H20Cl2N2/c1-14(2)4-3-5-18(14)13(9-17)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3
InChIKeyVFBROAIBCXFADF-UHFFFAOYSA-N
XLogP3.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)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-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine (CID 63216072) is 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is CC1(C)CCCN1C(CN)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is VFBROAIBCXFADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-14(2)4-3-5-18(14)13(9-17)10-6-11(15)8-12(16)7-10/h6-8,13H,3-5,9,17H2,1-2H3.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine?
2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 63216072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).