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

C13H18Cl2N2O — CID 114076201

IUPAC2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2O/c1-18-10-4-5-17(8-10)13(7-16)11-6-9(14)2-3-12(11)15/h2-3,6,10,13H,4-5,7-8,16H2,1H3
InChIKeyUVWNWGBKWZHWPL-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.71
Rot. Bonds4

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

2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (PubChem CID 114076201) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
PubChem CID114076201
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
SMILESCOC1CCN(C(CN)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2O/c1-18-10-4-5-17(8-10)13(7-16)11-6-9(14)2-3-12(11)15/h2-3,6,10,13H,4-5,7-8,16H2,1H3
InChIKeyUVWNWGBKWZHWPL-UHFFFAOYSA-N
XLogP2.71
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166284
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
2-(3-methoxypyrrolidin-1-yl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 103531517
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(furan-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530810
2-(4-chloro-2-fluorophenyl)-2-(3,4-dimethylpiperidin-1-yl)ethanamine
CID 114843422
1-[2-amino-1-(2,4-dichlorophenyl)ethyl]-N,N-dimethylpiperidin-4-amine
CID 43585830
2-(2-chloro-6-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965128
2-(5-bromothiophen-2-yl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103530959
2-(3-bromo-4-methoxyphenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103531609
2-(4-chlorothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965116

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine (CID 114076201) is 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is COC1CCN(C(CN)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
The InChIKey is UVWNWGBKWZHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-18-10-4-5-17(8-10)13(7-16)11-6-9(14)2-3-12(11)15/h2-3,6,10,13H,4-5,7-8,16H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine?
2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine has a molecular weight of 289.21 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-2-(3-methoxypyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114076201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).