(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

C17H25NO2 — CID 138809274

IUPAC(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCCc1ccccc1OCCN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C17H25NO2/c1-2-13-5-3-4-6-17(13)20-8-7-18-11-14-9-16(19)10-15(14)12-18/h3-6,14-16,19H,2,7-12H2,1H3/t14-,15+,16?
InChIKeyUVJQNCXXHXEICL-XYPWUTKMSA-N
MW275.39 g/mol
LogP2.33
Rot. Bonds5

About (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol

(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (PubChem CID 138809274) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.

Molecular Properties

Compound Name(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
PubChem CID138809274
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
SMILESCCc1ccccc1OCCN1C[C@H]2CC(O)C[C@H]2C1
InChIInChI=1S/C17H25NO2/c1-2-13-5-3-4-6-17(13)20-8-7-18-11-14-9-16(19)10-15(14)12-18/h3-6,14-16,19H,2,7-12H2,1H3/t14-,15+,16?
InChIKeyUVJQNCXXHXEICL-XYPWUTKMSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
(3S,4S)-1-[2-(2-ethylphenoxy)ethyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135099672
(3aS,6aR)-2-[[2-(4-piperidin-1-ylbutoxy)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154919955
N-[[2-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 79184613
1-[2-(2-ethylphenoxy)ethyl]piperidine-4-carbonitrile
CID 39359827
3-(2-ethylphenoxy)cyclobutan-1-ol
CID 66366906
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The IUPAC name of (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol (CID 138809274) is (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol.
What is the SMILES notation for (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The canonical SMILES for (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is CCc1ccccc1OCCN1C[C@H]2CC(O)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
The InChIKey is UVJQNCXXHXEICL-XYPWUTKMSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-13-5-3-4-6-17(13)20-8-7-18-11-14-9-16(19)10-15(14)12-18/h3-6,14-16,19H,2,7-12H2,1H3/t14-,15+,16?.
What are the key properties of (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol?
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol has a molecular weight of 275.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol is sourced from PubChem (CID 138809274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).