N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

C13H20Cl2N2O — CID 119922977

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-16(11-6-7-15-10-11)8-9-17-13-5-3-2-4-12(13)14;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyJPFHVNKMSVSQCX-UHFFFAOYSA-N
MW291.22 g/mol
LogP2.43
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride

N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (PubChem CID 119922977) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
PubChem CID119922977
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
SMILESCN(CCOc1ccccc1Cl)C1CCNC1.Cl
InChIInChI=1S/C13H19ClN2O.ClH/c1-16(11-6-7-15-10-11)8-9-17-13-5-3-2-4-12(13)14;/h2-5,11,15H,6-10H2,1H3;1H
InChIKeyJPFHVNKMSVSQCX-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231269
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
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2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
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N-[2-(2,4-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913425
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidine-3-carboxamide;hydrochloride
CID 119274437
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
1-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 118531540
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-[3-(2-chlorophenoxy)propyl]-N-methyl-2-[4-(pyrrolidin-3-ylmethyl)phenyl]acetamide;hydrochloride
CID 171707098

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride (CID 119922977) is N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is CN(CCOc1ccccc1Cl)C1CCNC1.Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
The InChIKey is JPFHVNKMSVSQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O.ClH/c1-16(11-6-7-15-10-11)8-9-17-13-5-3-2-4-12(13)14;/h2-5,11,15H,6-10H2,1H3;1H.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride?
N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride has a molecular weight of 291.22 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 119922977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).