1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol

C14H21NO — CID 79559738

IUPAC1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
SMILESCCc1ccc(C(O)CC2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3
InChIKeyASQGUIXUIQUHSO-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds4

About 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol

1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 79559738) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
PubChem CID79559738
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
SMILESCCc1ccc(C(O)CC2CCCN2)cc1
InChIInChI=1S/C14H21NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3
InChIKeyASQGUIXUIQUHSO-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
CID 84674533
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649
(1S)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788131
(1R)-2-[(2R)-azepan-2-yl]-1-phenylethanol
CID 95788130
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanone
CID 79537623
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-(4-methyl-3-nitrophenyl)-2-pyrrolidin-2-ylethanol
CID 81466211

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol (CID 79559738) is 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol is CCc1ccc(C(O)CC2CCCN2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is ASQGUIXUIQUHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-2-11-5-7-12(8-6-11)14(16)10-13-4-3-9-15-13/h5-8,13-16H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol?
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 79559738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).