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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Related Compounds

3-chloro-5-methyl-2-piperidin-1-ylaniline
CID 45371565
1-(2,6-dichloro-4-methylphenyl)piperazine
CID 166899180
5-bromo-3-chloro-2-piperidin-1-ylaniline
CID 50879529
1-(3-chloro-2,6-dimethylphenyl)pyrrolidine
CID 168514195
3,5-dimethyl-2-piperidin-1-ylaniline
CID 30029941
5-methyl-2-piperidin-1-ylbenzene-1,3-dicarboxylic acid
CID 174667046
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
1-(2,4-dibromo-6-chloro-3-methoxyphenyl)pyrrolidine
CID 168512911
2-[1-(2-chloro-4,6-dimethylphenyl)piperidin-3-yl]ethanol
CID 117026004
(Z)-3-(3,5-dichloro-4-pyrrolidin-1-ylphenyl)prop-2-enamide
CID 170877783
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188

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).