1-(2,6-dichloro-4-methylphenyl)pyrrolidine

C11H13Cl2N — CID 118374334

IUPAC1-(2,6-dichloro-4-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)c(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c1-8-6-9(12)11(10(13)7-8)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyYGULIGZVDNXAPN-UHFFFAOYSA-N
MW230.14 g/mol
LogP3.90
Rot. Bonds1

About 1-(2,6-dichloro-4-methylphenyl)pyrrolidine

1-(2,6-dichloro-4-methylphenyl)pyrrolidine (PubChem CID 118374334) has the molecular formula C11H13Cl2N and a molecular weight of 230.14 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-methylphenyl)pyrrolidine
PubChem CID118374334
Molecular FormulaC11H13Cl2N
Molecular Weight230.14 g/mol
Exact Mass229.04
IUPAC Name1-(2,6-dichloro-4-methylphenyl)pyrrolidine
SMILESCc1cc(Cl)c(N2CCCC2)c(Cl)c1
InChIInChI=1S/C11H13Cl2N/c1-8-6-9(12)11(10(13)7-8)14-4-2-3-5-14/h6-7H,2-5H2,1H3
InChIKeyYGULIGZVDNXAPN-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.14
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-methylphenyl)pyrrolidine?
The IUPAC name of 1-(2,6-dichloro-4-methylphenyl)pyrrolidine (CID 118374334) is 1-(2,6-dichloro-4-methylphenyl)pyrrolidine.
What is the SMILES notation for 1-(2,6-dichloro-4-methylphenyl)pyrrolidine?
The canonical SMILES for 1-(2,6-dichloro-4-methylphenyl)pyrrolidine is Cc1cc(Cl)c(N2CCCC2)c(Cl)c1.
What is the InChIKey of 1-(2,6-dichloro-4-methylphenyl)pyrrolidine?
The InChIKey is YGULIGZVDNXAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N/c1-8-6-9(12)11(10(13)7-8)14-4-2-3-5-14/h6-7H,2-5H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-methylphenyl)pyrrolidine?
1-(2,6-dichloro-4-methylphenyl)pyrrolidine has a molecular weight of 230.14 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-methylphenyl)pyrrolidine is sourced from PubChem (CID 118374334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).