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

C19H29NO — CID 115561346

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)10-15-6-8-16(9-7-15)19(21)13-20-11-17-4-3-5-18(17)12-20/h6-9,14,17-19,21H,3-5,10-13H2,1-2H3
InChIKeyNEYHXJWSGZKSEV-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.65
Rot. Bonds5

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

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 115561346) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID115561346
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C19H29NO/c1-14(2)10-15-6-8-16(9-7-15)19(21)13-20-11-17-4-3-5-18(17)12-20/h6-9,14,17-19,21H,3-5,10-13H2,1-2H3
InChIKeyNEYHXJWSGZKSEV-UHFFFAOYSA-N
XLogP3.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol with MolForge

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-propylphenyl)ethanol
CID 115561354
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
2-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-(4-nitrosophenyl)ethanol
CID 170116951
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(4-nitrosophenyl)ethanol
CID 155001254
4-[2-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-1-hydroxyethyl]phenol;phenol
CID 145052357
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
1-[4-(2-methylpropyl)phenyl]-3-pyrrolidin-1-ylpropan-1-ol
CID 112510765
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63466664
2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 102894005
2-(2,2-dimethylmorpholin-4-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981558
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol (CID 115561346) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)CN2CC3CCCC3C2)cc1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is NEYHXJWSGZKSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)10-15-6-8-16(9-7-15)19(21)13-20-11-17-4-3-5-18(17)12-20/h6-9,14,17-19,21H,3-5,10-13H2,1-2H3.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 115561346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).