2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine

C14H21NO2 — CID 81148091

IUPAC2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cc(CCC2CCCN2)cc(OC)c1
InChIInChI=1S/C14H21NO2/c1-16-13-8-11(9-14(10-13)17-2)5-6-12-4-3-7-15-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyIIUCSVDRNZFCKL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine

2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine (PubChem CID 81148091) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
PubChem CID81148091
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine
SMILESCOc1cc(CCC2CCCN2)cc(OC)c1
InChIInChI=1S/C14H21NO2/c1-16-13-8-11(9-14(10-13)17-2)5-6-12-4-3-7-15-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyIIUCSVDRNZFCKL-UHFFFAOYSA-N
XLogP2.39
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-methoxyphenyl)ethyl]azepane
CID 113443145
2-[(3-fluoro-5-methoxyphenyl)methyl]pyrrolidine
CID 84677033
2-[3-(4-methoxyphenyl)propyl]piperidine
CID 65446310
2-[2-(3-propoxyphenyl)ethyl]piperidine
CID 62497478
4-[2-(3,5-dimethoxyphenyl)ethyl]-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 119929930
2-[2-(4-bromophenyl)ethyl]pyrrolidine
CID 82088395
1-[3-methoxy-5-(piperidin-2-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411127
N-[(4-methoxyphenyl)methyl]-N-methyl-2-pyrrolidin-2-ylethanamine
CID 61418183
2-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidine
CID 104703817
2,4,6-trimethoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 120876426
2-[(3-chloro-2,5-dimethoxyphenyl)methyl]pyrrolidine
CID 117392691
2-[2-(4-propan-2-yloxyphenyl)ethyl]piperidine
CID 54932964

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine (CID 81148091) is 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine is COc1cc(CCC2CCCN2)cc(OC)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine?
The InChIKey is IIUCSVDRNZFCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-13-8-11(9-14(10-13)17-2)5-6-12-4-3-7-15-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine?
2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine has a molecular weight of 235.33 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethyl]pyrrolidine is sourced from PubChem (CID 81148091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).