1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine

C13H17Cl2NO — CID 869435

IUPAC1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine
SMILESCc1cc(Cl)cc(Cl)c1OCCN1CCCC1
InChIInChI=1S/C13H17Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3
InChIKeyBOBFSPSKINMQGD-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine

1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine (PubChem CID 869435) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine
PubChem CID869435
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine
SMILESCc1cc(Cl)cc(Cl)c1OCCN1CCCC1
InChIInChI=1S/C13H17Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3
InChIKeyBOBFSPSKINMQGD-UHFFFAOYSA-N
XLogP3.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]pyrrolidine
CID 869237
1-[2-(2-Chloro-6-methylphenoxy)ethyl]pyrrolidine oxalate
CID 2847238
N-(3,5-dichloro-2-ethoxybenzyl)-3-ethoxy-1-propanamine hydrochloride
CID 2979775
[4-(2,4-Dichloro-6-methylphenoxy)butyl]dimethylamine oxalate
CID 2934086
4-[2-(2-Chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
4-[4-(4-Chloro-2,6-dimethylphenoxy)butyl]morpholine
CID 2248084
1-[2-(4-Benzyl-2-chloro-phenoxy)-ethyl]-pyrrolidine
CID 10852867
2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
CID 867184
{2-[2-(2,4-Dichloro-6-methylphenoxy)ethoxy]ethyl}dimethylamine oxalate
CID 2935189
N-[(5,7-dichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
CID 36806
1-[2-(2,6-Dichlorophenoxy)ethyl]pyrrolidine
CID 915518
1-(5,7-Dichloro-2,3-dihydro-1-benzofuran-2-yl)methanamine--hydrogen chloride (1/1)
CID 36420

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine (CID 869435) is 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine is Cc1cc(Cl)cc(Cl)c1OCCN1CCCC1.
What is the InChIKey of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine?
The InChIKey is BOBFSPSKINMQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-10-8-11(14)9-12(15)13(10)17-7-6-16-4-2-3-5-16/h8-9H,2-7H2,1H3.
What are the key properties of 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine?
1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine has a molecular weight of 274.19 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichloro-6-methylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 869435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).