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

C16H24ClNO2 — CID 117479585

IUPAC2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCOc1cc(Cl)c(CC2CCCN2)c(C(C)C)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10(2)15-12(8-11-6-5-7-18-11)13(17)9-14(19-3)16(15)20-4/h9-11,18H,5-8H2,1-4H3
InChIKeyVINVFSNKUPYKDO-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.78
Rot. Bonds5

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

2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine (PubChem CID 117479585) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
PubChem CID117479585
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine
SMILESCOc1cc(Cl)c(CC2CCCN2)c(C(C)C)c1OC
InChIInChI=1S/C16H24ClNO2/c1-10(2)15-12(8-11-6-5-7-18-11)13(17)9-14(19-3)16(15)20-4/h9-11,18H,5-8H2,1-4H3
InChIKeyVINVFSNKUPYKDO-UHFFFAOYSA-N
XLogP3.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
2-[(2-chloro-4,6-dimethoxyphenyl)methyl]pyrrolidine
CID 117392683
2-[(2-chloro-3,6-dimethoxy-4-methylphenyl)methyl]pyrrolidine
CID 117427732
2-[(2,3-dimethoxy-5,6-dimethylphenyl)methyl]pyrrolidine
CID 117377110
2-[(3-chloro-2-methoxy-4,6-dimethylphenyl)methyl]pyrrolidine
CID 117387647
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-[(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine
CID 117479519
2-[(2,3,6-trimethoxyphenyl)methyl]piperidine
CID 117417665
2-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117396171
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine (CID 117479585) is 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine is COc1cc(Cl)c(CC2CCCN2)c(C(C)C)c1OC.
What is the InChIKey of 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine?
The InChIKey is VINVFSNKUPYKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-10(2)15-12(8-11-6-5-7-18-11)13(17)9-14(19-3)16(15)20-4/h9-11,18H,5-8H2,1-4H3.
What are the key properties of 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine?
2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine has a molecular weight of 297.83 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 117479585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).