2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine

C14H20ClNO2 — CID 117427831

IUPAC2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(CC2CCCN2)c(OC)c1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-7-10(8-11-5-4-6-16-11)14(18-3)12(15)13(9)17-2/h7,11,16H,4-6,8H2,1-3H3
InChIKeyTUGLDDXLFYUMNZ-UHFFFAOYSA-N
MW269.77 g/mol
LogP2.96
Rot. Bonds4

About 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine

2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine (PubChem CID 117427831) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
PubChem CID117427831
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine
SMILESCOc1c(C)cc(CC2CCCN2)c(OC)c1Cl
InChIInChI=1S/C14H20ClNO2/c1-9-7-10(8-11-5-4-6-16-11)14(18-3)12(15)13(9)17-2/h7,11,16H,4-6,8H2,1-3H3
InChIKeyTUGLDDXLFYUMNZ-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-4,5-dimethylphenyl)methyl]piperidine
CID 117423350
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-fluoro-3-methoxy-6-methyl-4-(pyrrolidin-2-ylmethyl)phenol
CID 84799672
2-fluoro-3-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 84799673
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
2-[(5-bromo-2,3-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117499665
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-methoxy-3,4-dimethyl-6-(piperidin-2-ylmethyl)phenol
CID 117377158
2-[[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 117473874
2-[(3-fluoro-4-methoxy-5-methylphenyl)methyl]pyrrolidine
CID 117320360

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine (CID 117427831) is 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine is COc1c(C)cc(CC2CCCN2)c(OC)c1Cl.
What is the InChIKey of 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine?
The InChIKey is TUGLDDXLFYUMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9-7-10(8-11-5-4-6-16-11)14(18-3)12(15)13(9)17-2/h7,11,16H,4-6,8H2,1-3H3.
What are the key properties of 2-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine?
2-[(3-chloro-2,4-dimethoxy-5-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-[(3-chloro-2,4-dimethoxy-5-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117427831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).