2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

C19H29NO — CID 79060566

IUPAC2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCc1ccc(C)c(CC(O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C19H29NO/c1-15-7-8-16(2)17(13-15)14-18(21)19(9-3-4-10-19)20-11-5-6-12-20/h7-8,13,18,21H,3-6,9-12,14H2,1-2H3
InChIKeyDEPDWXJJJIOVTC-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.62
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol

2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (PubChem CID 79060566) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
PubChem CID79060566
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
SMILESCc1ccc(C)c(CC(O)C2(N3CCCC3)CCCC2)c1
InChIInChI=1S/C19H29NO/c1-15-7-8-16(2)17(13-15)14-18(21)19(9-3-4-10-19)20-11-5-6-12-20/h7-8,13,18,21H,3-6,9-12,14H2,1-2H3
InChIKeyDEPDWXJJJIOVTC-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-2-methylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 114347509
1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
CID 63410825
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
2-(aminomethyl)-3-(2,5-dimethylphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 62082064
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
2-(5-fluoro-2-methylphenyl)-1-(1-methylcyclopentyl)ethanol
CID 105377576
2-(2,5-dimethylphenyl)-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610924
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 79969739
(4-fluoro-3-methylphenyl)-(1-piperidin-1-ylcyclopentyl)methanol
CID 79057735
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The IUPAC name of 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol (CID 79060566) is 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The canonical SMILES for 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is Cc1ccc(C)c(CC(O)C2(N3CCCC3)CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
The InChIKey is DEPDWXJJJIOVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-15-7-8-16(2)17(13-15)14-18(21)19(9-3-4-10-19)20-11-5-6-12-20/h7-8,13,18,21H,3-6,9-12,14H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol?
2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol has a molecular weight of 287.45 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol is sourced from PubChem (CID 79060566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).