2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine

C12H16ClN — CID 117299721

IUPAC2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(C2(C)CCCN2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-4-5-10(11(13)8-9)12(2)6-3-7-14-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyHCVSBLGYJRTCJO-UHFFFAOYSA-N
MW209.72 g/mol
LogP3.25
Rot. Bonds1

About 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine

2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine (PubChem CID 117299721) has the molecular formula C12H16ClN and a molecular weight of 209.72 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
PubChem CID117299721
Molecular FormulaC12H16ClN
Molecular Weight209.72 g/mol
Exact Mass209.10
IUPAC Name2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
SMILESCc1ccc(C2(C)CCCN2)c(Cl)c1
InChIInChI=1S/C12H16ClN/c1-9-4-5-10(11(13)8-9)12(2)6-3-7-14-12/h4-5,8,14H,3,6-7H2,1-2H3
InChIKeyHCVSBLGYJRTCJO-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.72
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methoxy-5-methylphenyl)-2-methylpyrrolidine
CID 66467357
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423013
2-(2-ethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117313031
2-(2-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299724
2-(4-chloro-3-methylphenyl)-2-methylpyrrolidine
CID 117299725
2-(2-chlorofuran-3-yl)-2-methylpyrrolidine
CID 82655515
2-(3-chloro-5-methylphenyl)-2-methylpyrrolidine
CID 117299720
6-chloro-2,3-difluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117372312
2-(4-bromo-2-chloro-3-fluorophenyl)-2-methylpyrrolidine
CID 117472518
2-(2-chloro-3,5-difluorophenyl)-2-methylpyrrolidine
CID 117335365
3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine (CID 117299721) is 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine is Cc1ccc(C2(C)CCCN2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine?
The InChIKey is HCVSBLGYJRTCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN/c1-9-4-5-10(11(13)8-9)12(2)6-3-7-14-12/h4-5,8,14H,3,6-7H2,1-2H3.
What are the key properties of 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine?
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine has a molecular weight of 209.72 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117299721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).