2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol

C17H27NO — CID 112698266

IUPAC2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCC1CCN(CC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-14-9-10-18(11-14)12-17(19)16-7-5-15(6-8-16)13(2)3/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyIEWXVSQMODZRNM-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.58
Rot. Bonds5

About 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol

2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 112698266) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID112698266
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
SMILESCCC1CCN(CC(O)c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C17H27NO/c1-4-14-9-10-18(11-14)12-17(19)16-7-5-15(6-8-16)13(2)3/h5-8,13-14,17,19H,4,9-12H2,1-3H3
InChIKeyIEWXVSQMODZRNM-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 60970237
2-(3-methylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 54944272
3-(3-ethylpyrrolidin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 113418919
2-(3-ethylpyrrolidin-1-yl)-1-(3-methoxyphenyl)ethanol
CID 115688624
2-(3-ethylpyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 115688548
4-[1-hydroxy-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethyl]benzonitrile
CID 64599116
1-(3-ethylpyrrolidin-1-yl)butan-2-ol
CID 115688740
1-(4-methylphenyl)-2-[3-(morpholin-4-ylmethyl)pyrrolidin-1-yl]ethanol
CID 111488276
1-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)ethanol
CID 62265432
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63567700
1-(2,5-dimethoxyphenyl)-2-(3-ethylpyrrolidin-1-yl)ethanol
CID 115688534
2-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-1-phenylethanol
CID 111635011

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol (CID 112698266) is 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol is CCC1CCN(CC(O)c2ccc(C(C)C)cc2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is IEWXVSQMODZRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-4-14-9-10-18(11-14)12-17(19)16-7-5-15(6-8-16)13(2)3/h5-8,13-14,17,19H,4,9-12H2,1-3H3.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol?
2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 261.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 112698266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).