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

C12H18N2O — CID 84674533

IUPAC1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
SMILESNc1ccc(C(O)CC2CCCN2)cc1
InChIInChI=1S/C12H18N2O/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8,13H2
InChIKeyGFIJSWIYJFMKSX-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.44
Rot. Bonds3

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

1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol (PubChem CID 84674533) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
PubChem CID84674533
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol
SMILESNc1ccc(C(O)CC2CCCN2)cc1
InChIInChI=1S/C12H18N2O/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8,13H2
InChIKeyGFIJSWIYJFMKSX-UHFFFAOYSA-N
XLogP1.44
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
(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-(4-aminophenyl)-2-cyclobutylethanol
CID 106695629
1-(4-aminophenyl)-2-cyclopentylethanol
CID 106695429
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
1-(3-methylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559902
1-(4-fluorophenyl)-2-pyrrolidin-2-ylethanamine
CID 116935942
1-(2,6-difluorophenyl)-2-pyrrolidin-2-ylethanol
CID 81466414

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol?
The IUPAC name of 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol (CID 84674533) is 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol is Nc1ccc(C(O)CC2CCCN2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol?
The InChIKey is GFIJSWIYJFMKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c13-10-5-3-9(4-6-10)12(15)8-11-2-1-7-14-11/h3-6,11-12,14-15H,1-2,7-8,13H2.
What are the key properties of 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol?
1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol has a molecular weight of 206.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-pyrrolidin-2-ylethanol is sourced from PubChem (CID 84674533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).