1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine

C13H18Cl2N2 — CID 60861960

IUPAC1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-9(17-6-5-11(8-17)16-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyWDHNWVSNLHOHDI-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.35
Rot. Bonds3

About 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine

1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 60861960) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID60861960
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)c2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C13H18Cl2N2/c1-9(17-6-5-11(8-17)16-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3
InChIKeyWDHNWVSNLHOHDI-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(2,4-dichlorophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630096
N-[[1-[1-(2,4-dichlorophenyl)ethyl]piperidin-3-yl]methyl]propan-2-amine
CID 63240771
1-[1-(2,4-dichlorophenyl)ethyl]piperidine-4-carboxylic acid
CID 3945055
3-butan-2-yl-1-[1-(2,4-dichlorophenyl)ethyl]piperazine
CID 64924861
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine
CID 54965150
1-[1-(2-chlorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 54965482
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81493085
1-[1-(3-chlorophenyl)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923709
N-methyl-1-[1-(3-methylphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905925
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
(3R)-N-methyl-1-propan-2-ylpyrrolidin-3-amine
CID 55299463

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 60861960) is 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine is CNC1CCN(C(C)c2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is WDHNWVSNLHOHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9(17-6-5-11(8-17)16-2)12-4-3-10(14)7-13(12)15/h3-4,7,9,11,16H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine has a molecular weight of 273.21 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 60861960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).