2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

C19H29NO — CID 102894005

IUPAC2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CC2NCC3CCCC32)cc1
InChIInChI=1S/C19H29NO/c1-13(2)10-14-6-8-15(9-7-14)19(21)11-18-17-5-3-4-16(17)12-20-18/h6-9,13,16-21H,3-5,10-12H2,1-2H3
InChIKeyJFLDELWYIBKQOE-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.70
Rot. Bonds5

About 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 102894005) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID102894005
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CC2NCC3CCCC32)cc1
InChIInChI=1S/C19H29NO/c1-13(2)10-14-6-8-15(9-7-14)19(21)11-18-17-5-3-4-16(17)12-20-18/h6-9,13,16-21H,3-5,10-12H2,1-2H3
InChIKeyJFLDELWYIBKQOE-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-(3-bromophenyl)ethanol
CID 102894010
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
2-(5-methylmorpholin-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685478
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
1-(1-bromo-2-cyclobutylethyl)-4-(2-methylpropyl)benzene
CID 103165712
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 102894005) is 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)CC2NCC3CCCC32)cc1.
What is the InChIKey of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is JFLDELWYIBKQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-13(2)10-14-6-8-15(9-7-14)19(21)11-18-17-5-3-4-16(17)12-20-18/h6-9,13,16-21H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 102894005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).