2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol

C14H21NO — CID 117028523

IUPAC2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
SMILESCCc1ccccc1N1CCCC1CCO
InChIInChI=1S/C14H21NO/c1-2-12-6-3-4-8-14(12)15-10-5-7-13(15)9-11-16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3
InChIKeyVLAYDAFKMSTBCE-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.60
Rot. Bonds4

About 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol

2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol (PubChem CID 117028523) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
PubChem CID117028523
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol
SMILESCCc1ccccc1N1CCCC1CCO
InChIInChI=1S/C14H21NO/c1-2-12-6-3-4-8-14(12)15-10-5-7-13(15)9-11-16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3
InChIKeyVLAYDAFKMSTBCE-UHFFFAOYSA-N
XLogP2.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2-ethylpyrrolidin-1-yl)phenyl]methanol
CID 60973877
2-[4-(2-ethylphenyl)morpholin-3-yl]ethanol
CID 117009287
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
2-[1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-yl]ethanol
CID 117028559
2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]benzonitrile
CID 117028581
1-[2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]phenyl]propan-1-one
CID 112677416
[1-[2-(aminomethyl)phenyl]pyrrolidin-2-yl]methanol
CID 61407421
2-[2-(2-ethylpyrrolidin-1-yl)phenyl]ethanamine
CID 63784557
1-(2-fluorophenyl)-2-propylpyrrolidine
CID 67817363
2-(2-ethylpyrrolidin-1-yl)benzaldehyde
CID 60973642
2-[1-[2-(difluoromethylsulfonyl)phenyl]piperidin-2-yl]ethanol
CID 61146696
N'-hydroxy-2-[2-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 43199962

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol (CID 117028523) is 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol is CCc1ccccc1N1CCCC1CCO.
What is the InChIKey of 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol?
The InChIKey is VLAYDAFKMSTBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-12-6-3-4-8-14(12)15-10-5-7-13(15)9-11-16/h3-4,6,8,13,16H,2,5,7,9-11H2,1H3.
What are the key properties of 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol?
2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol has a molecular weight of 219.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-ethylphenyl)pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 117028523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).