2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine

C14H20ClNO — CID 117387647

IUPAC2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1c(Cl)c(C)cc(C)c1CC1CCCN1
InChIInChI=1S/C14H20ClNO/c1-9-7-10(2)13(15)14(17-3)12(9)8-11-5-4-6-16-11/h7,11,16H,4-6,8H2,1-3H3
InChIKeyMVKUDOVBBDBREA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.26
Rot. Bonds3

About 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine

2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine (PubChem CID 117387647) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
PubChem CID117387647
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
SMILESCOc1c(Cl)c(C)cc(C)c1CC1CCCN1
InChIInChI=1S/C14H20ClNO/c1-9-7-10(2)13(15)14(17-3)12(9)8-11-5-4-6-16-11/h7,11,16H,4-6,8H2,1-3H3
InChIKeyMVKUDOVBBDBREA-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
3-fluoro-2-methoxy-5-methyl-6-(piperidin-2-ylmethyl)phenol
CID 117386337
2-[(3-chloro-5-fluoro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117432392
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine (CID 117387647) is 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine is COc1c(Cl)c(C)cc(C)c1CC1CCCN1.
What is the InChIKey of 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine?
The InChIKey is MVKUDOVBBDBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-7-10(2)13(15)14(17-3)12(9)8-11-5-4-6-16-11/h7,11,16H,4-6,8H2,1-3H3.
What are the key properties of 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine?
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine has a molecular weight of 253.77 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117387647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).