2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine

C14H20ClNO — CID 117387927

IUPAC2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(Cl)c(C)c1C1(C)CCCN1
InChIInChI=1S/C14H20ClNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3
InChIKeyPNLIWHSUUPDDQI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.56
Rot. Bonds2

About 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine

2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine (PubChem CID 117387927) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
PubChem CID117387927
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
SMILESCOc1c(C)cc(Cl)c(C)c1C1(C)CCCN1
InChIInChI=1S/C14H20ClNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3
InChIKeyPNLIWHSUUPDDQI-UHFFFAOYSA-N
XLogP3.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine
CID 117480566
1-(5-chloro-2-methoxy-3,6-dimethylphenyl)cyclopropan-1-amine
CID 84790711
2-(3,5-difluoro-2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 117396154
2-(2-fluoro-3,4-dimethoxy-5-methylphenyl)-2-methylpyrrolidine
CID 117386391
2-(4-chloro-2,3-dimethoxyphenyl)-2-methylpyrrolidine
CID 117392452
2-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)-2-methylpyrrolidine
CID 117116896
2-(3-methoxy-2,4-dimethylphenyl)-2-methylpyrrolidine
CID 117313039
2-(4,5-dimethoxy-2,3-dimethylphenyl)-2-methylpyrrolidine
CID 117377238
2-(6-chloro-4-methyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117387308
3-chloro-6-methoxy-2-(2-methylpyrrolidin-2-yl)phenol
CID 117356265
4-fluoro-2-methoxy-3,5-dimethyl-6-(2-methylpyrrolidin-2-yl)phenol
CID 117386397
2-(2,6-dimethoxyphenyl)-2-methylpyrrolidine
CID 116810545

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The IUPAC name of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine (CID 117387927) is 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The canonical SMILES for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine is COc1c(C)cc(Cl)c(C)c1C1(C)CCCN1.
What is the InChIKey of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
The InChIKey is PNLIWHSUUPDDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-8-11(15)10(2)12(13(9)17-4)14(3)6-5-7-16-14/h8,16H,5-7H2,1-4H3.
What are the key properties of 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine?
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-2-methylpyrrolidine is sourced from PubChem (CID 117387927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).