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

C13H18Cl2N2 — CID 114079689

IUPACN-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cccc(Cl)c1Cl)N(C)C1CCNC1
InChIInChI=1S/C13H18Cl2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyIBRYJJSLRKUUET-UHFFFAOYSA-N
MW273.21 g/mol
LogP3.35
Rot. Bonds3

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

N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine (PubChem CID 114079689) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
PubChem CID114079689
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine
SMILESCC(c1cccc(Cl)c1Cl)N(C)C1CCNC1
InChIInChI=1S/C13H18Cl2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3
InChIKeyIBRYJJSLRKUUET-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

N-[1-(2,3-difluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 114059322
N-[1-(2-chlorophenyl)ethyl]-N-methylazetidin-3-amine
CID 62978284
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 63298327
2,6-dichloro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119978751
2,3-dichloro-N-[1-[methyl(pyrrolidin-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 119553991
N-methyl-N-[1-(4-phenylphenyl)ethyl]pyrrolidin-3-amine
CID 63297346
(3S)-N-methyl-N-propan-2-ylpyrrolidin-3-amine;dihydrochloride
CID 138393817
N-[1-(4-bromo-2-fluorophenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 82970177
N-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-3-amine
CID 63297008
1-(2,6-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978998
(3R)-N-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine;hydrochloride
CID 71637515

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine (CID 114079689) is N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine is CC(c1cccc(Cl)c1Cl)N(C)C1CCNC1.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
The InChIKey is IBRYJJSLRKUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2/c1-9(17(2)10-6-7-16-8-10)11-4-3-5-12(14)13(11)15/h3-5,9-10,16H,6-8H2,1-2H3.
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine?
N-[1-(2,3-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 N-[1-(2,3-dichlorophenyl)ethyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 114079689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).