1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol

C16H25N3O — CID 63171581

IUPAC1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
SMILESNc1ccc(C(O)CN2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C16H25N3O/c17-14-5-3-13(4-6-14)16(20)12-18-10-7-15(11-18)19-8-1-2-9-19/h3-6,15-16,20H,1-2,7-12,17H2
InChIKeyYSDDSQISPAFFIO-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.47
Rot. Bonds4

About 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol

1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol (PubChem CID 63171581) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
PubChem CID63171581
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
SMILESNc1ccc(C(O)CN2CCC(N3CCCC3)C2)cc1
InChIInChI=1S/C16H25N3O/c17-14-5-3-13(4-6-14)16(20)12-18-10-7-15(11-18)19-8-1-2-9-19/h3-6,15-16,20H,1-2,7-12,17H2
InChIKeyYSDDSQISPAFFIO-UHFFFAOYSA-N
XLogP1.47
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[1-hydroxy-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]benzonitrile
CID 63169530
4-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-2-yl]aniline
CID 104501664
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-aminophenyl)ethanol
CID 79940161
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-methoxyphenyl)ethanol
CID 115824259
1-(3-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165585
1-(4-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]ethanol
CID 106586078
1-(2-methoxyphenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol
CID 63165717
1-(4-aminophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanol
CID 62265580
(1S)-1-(2-chlorophenyl)-2-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanol
CID 100836996
4-[1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]aniline
CID 63171627

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The IUPAC name of 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol (CID 63171581) is 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol.
What is the SMILES notation for 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The canonical SMILES for 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol is Nc1ccc(C(O)CN2CCC(N3CCCC3)C2)cc1.
What is the InChIKey of 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
The InChIKey is YSDDSQISPAFFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c17-14-5-3-13(4-6-14)16(20)12-18-10-7-15(11-18)19-8-1-2-9-19/h3-6,15-16,20H,1-2,7-12,17H2.
What are the key properties of 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol?
1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol has a molecular weight of 275.40 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanol is sourced from PubChem (CID 63171581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).