[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine

C13H18Cl2N2O — CID 62063405

IUPAC[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2O/c14-11-2-1-3-12(15)13(11)18-7-6-17-5-4-10(8-16)9-17/h1-3,10H,4-9,16H2
InChIKeyCGHHUTXCAAIXLW-UHFFFAOYSA-N
MW289.21 g/mol
LogP2.65
Rot. Bonds5

About [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine

[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 62063405) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID62063405
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(CCOc2c(Cl)cccc2Cl)C1
InChIInChI=1S/C13H18Cl2N2O/c14-11-2-1-3-12(15)13(11)18-7-6-17-5-4-10(8-16)9-17/h1-3,10H,4-9,16H2
InChIKeyCGHHUTXCAAIXLW-UHFFFAOYSA-N
XLogP2.65
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,6-dichlorophenoxy)ethyl]azetidin-3-amine
CID 65249570
1-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 61203648
[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069136
[1-[2-(4-propoxyphenoxy)ethyl]pyrrolidin-3-yl]methanamine
CID 62063950
(3R)-1-[2-(2-chlorophenoxy)ethyl]-3-(methoxymethyl)pyrrolidine
CID 29088010
[1-[(2-chloro-6-methoxyphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 104816715
[1-(2-naphthalen-1-yloxyethyl)azetidin-3-yl]methanamine
CID 71151801
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
1-(2-naphthalen-1-yloxyethyl)pyrrolidin-3-amine
CID 71151906
[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915656
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine (CID 62063405) is [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine is NCC1CCN(CCOc2c(Cl)cccc2Cl)C1.
What is the InChIKey of [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is CGHHUTXCAAIXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c14-11-2-1-3-12(15)13(11)18-7-6-17-5-4-10(8-16)9-17/h1-3,10H,4-9,16H2.
What are the key properties of [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine?
[1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 289.21 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,6-dichlorophenoxy)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62063405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).