1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol

C18H22N2O — CID 62266444

IUPAC1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
SMILESNc1ccc(C(O)CN2CCCC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c19-16-10-8-15(9-11-16)18(21)13-20-12-4-7-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,21H,4,7,12-13,19H2
InChIKeyILWZOAGMWXTBHS-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds4

About 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol

1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol (PubChem CID 62266444) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
PubChem CID62266444
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol
SMILESNc1ccc(C(O)CN2CCCC2c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c19-16-10-8-15(9-11-16)18(21)13-20-12-4-7-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,21H,4,7,12-13,19H2
InChIKeyILWZOAGMWXTBHS-UHFFFAOYSA-N
XLogP3.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol 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

(1S)-1-(4-methylsulfonylphenyl)-2-[(2S)-2-phenylpyrrolidin-1-yl]ethanol
CID 125145320
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-1-phenylethanol
CID 110880168
1-(3-aminophenyl)-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanol
CID 62264751
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
4-[1-(2-phenylpyrrolidin-1-yl)ethyl]aniline
CID 61263705
(1S)-1-phenyl-2-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanol
CID 125142936
1-(4-fluorophenyl)-2-(2-pyrimidin-2-ylpyrrolidin-1-yl)ethanol
CID 154769172
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
1-(4-chlorophenyl)-2-(2-phenylpiperazin-1-yl)ethanol;dihydrochloride
CID 21292088
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
ethane;1-ethyl-2-phenylpyrrolidine
CID 177062481
2-(2-pyrimidin-2-ylpyrrolidin-1-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 167962982

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol (CID 62266444) is 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol is Nc1ccc(C(O)CN2CCCC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol?
The InChIKey is ILWZOAGMWXTBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-16-10-8-15(9-11-16)18(21)13-20-12-4-7-17(20)14-5-2-1-3-6-14/h1-3,5-6,8-11,17-18,21H,4,7,12-13,19H2.
What are the key properties of 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol?
1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol has a molecular weight of 282.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(2-phenylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 62266444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).