1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol

C14H21NO3 — CID 79559655

IUPAC1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
SMILESCOc1ccc(OC)c(C(O)CC2CCCN2)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-14(18-2)12(9-11)13(16)8-10-4-3-7-15-10/h5-6,9-10,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyYFEYGKOMGZJCGD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol

1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 79559655) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
PubChem CID79559655
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol
SMILESCOc1ccc(OC)c(C(O)CC2CCCN2)c1
InChIInChI=1S/C14H21NO3/c1-17-11-5-6-14(18-2)12(9-11)13(16)8-10-4-3-7-15-10/h5-6,9-10,13,15-16H,3-4,7-8H2,1-2H3
InChIKeyYFEYGKOMGZJCGD-UHFFFAOYSA-N
XLogP1.88
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685580
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
(2,5-dimethoxyphenyl)-pyrrolidin-2-ylmethanamine
CID 82291674
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119287258
2-(cyclopentylmethoxy)-1-(2,5-dimethoxyphenyl)ethanol
CID 66321390
1-(5-bromo-2-methoxyphenyl)-2-pyrrolidin-2-ylethanamine
CID 116935969
N-[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 119287242
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-(5-bromo-2-methoxyphenyl)-N-methyl-2-pyrrolidin-2-ylethanamine
CID 116951457
2-[(2,4-dimethoxyphenyl)methyl]piperidine
CID 62800646
(2S)-2-[(2-chloro-4-methoxyphenoxy)methyl]pyrrolidine
CID 28750046
2-pyrrolidin-2-yl-1-(2,4,6-trimethylphenyl)ethanol
CID 79560822

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol (CID 79559655) is 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol is COc1ccc(OC)c(C(O)CC2CCCN2)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is YFEYGKOMGZJCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-5-6-14(18-2)12(9-11)13(16)8-10-4-3-7-15-10/h5-6,9-10,13,15-16H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol?
1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 251.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 79559655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).