1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

C15H24N2O3 — CID 114797133

IUPAC1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESNc1cccc(OCC(O)CN2CCC(CCO)C2)c1
InChIInChI=1S/C15H24N2O3/c16-13-2-1-3-15(8-13)20-11-14(19)10-17-6-4-12(9-17)5-7-18/h1-3,8,12,14,18-19H,4-7,9-11,16H2
InChIKeyYLSCYUJKJUCLDX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.71
Rot. Bonds7

About 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol

1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 114797133) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID114797133
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
SMILESNc1cccc(OCC(O)CN2CCC(CCO)C2)c1
InChIInChI=1S/C15H24N2O3/c16-13-2-1-3-15(8-13)20-11-14(19)10-17-6-4-12(9-17)5-7-18/h1-3,8,12,14,18-19H,4-7,9-11,16H2
InChIKeyYLSCYUJKJUCLDX-UHFFFAOYSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-[3-(3-aminophenoxy)-2-hydroxypropyl]pyrrolidine-3,4-diol
CID 106667883
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364468
1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
CID 61439939
1-(3-aminophenoxy)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 43364505
1-(3-aminophenoxy)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581117
1-(3-aminophenoxy)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 65283726
3-[2-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 64598108
1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797096
1-(4-aminophenoxy)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43590041
1-[3-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol (CID 114797133) is 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is Nc1cccc(OCC(O)CN2CCC(CCO)C2)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is YLSCYUJKJUCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c16-13-2-1-3-15(8-13)20-11-14(19)10-17-6-4-12(9-17)5-7-18/h1-3,8,12,14,18-19H,4-7,9-11,16H2.
What are the key properties of 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol?
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 114797133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).