2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine

C14H20ClNO2 — CID 117427732

IUPAC2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
SMILESCOc1cc(C)c(OC)c(Cl)c1CC1CCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(17-2)11(13(15)14(9)18-3)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyYDPBISRIQDLVHB-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine

2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine (PubChem CID 117427732) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
PubChem CID117427732
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
SMILESCOc1cc(C)c(OC)c(Cl)c1CC1CCCN1
InChIInChI=1S/C14H20ClNO2/c1-9-7-12(17-2)11(13(15)14(9)18-3)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3
InChIKeyYDPBISRIQDLVHB-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
CID 117427831
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
2-[(2,6-dimethoxy-3-methylphenyl)methyl]piperidine
CID 117377139
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
CID 117479585
2-[(4-fluoro-2,3-dimethoxy-6-methylphenyl)methyl]pyrrolidine
CID 117386317
2-[(2-methoxy-6-methylphenyl)methyl]pyrrolidine
CID 84778649
2-[[2,6-dimethoxy-4-(methoxymethyl)phenyl]methyl]pyrrolidine
CID 117417625
2-[(6-chloro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 117387667
2-[(3-chloro-2-methoxy-4,5-dimethylphenyl)methyl]piperidine
CID 117423350

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine (CID 117427732) is 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine is COc1cc(C)c(OC)c(Cl)c1CC1CCCN1.
What is the InChIKey of 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine?
The InChIKey is YDPBISRIQDLVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-12(17-2)11(13(15)14(9)18-3)8-10-5-4-6-16-10/h7,10,16H,4-6,8H2,1-3H3.
What are the key properties of 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine?
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine has a molecular weight of 269.77 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117427732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).