1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol

C13H20N2O2 — CID 43364468

IUPAC1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1cccc(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-3-5-13(8-11)17-10-12(16)9-15-6-1-2-7-15/h3-5,8,12,16H,1-2,6-7,9-10,14H2
InChIKeyRPUWKMWWFFDESE-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds5

About 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol

1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 43364468) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID43364468
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1cccc(OCC(O)CN2CCCC2)c1
InChIInChI=1S/C13H20N2O2/c14-11-4-3-5-13(8-11)17-10-12(16)9-15-6-1-2-7-15/h3-5,8,12,16H,1-2,6-7,9-10,14H2
InChIKeyRPUWKMWWFFDESE-UHFFFAOYSA-N
XLogP1.10
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.10
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

1-[3-(2-hydroxy-3-piperidin-1-ylpropoxy)phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 3133154
1-(3-aminophenoxy)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 65283726
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-(3-aminophenoxy)-2-hydroxypropyl]pyrrolidine-3,4-diol
CID 106667883
1-(3-aminophenoxy)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
CID 61439939
1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61223978
1-(4-aminophenoxy)-3-(azocan-1-yl)propan-2-ol
CID 43364549
3-[3-(azepan-1-yl)-2-hydroxypropoxy]benzenecarbothioamide
CID 43290259
(2R)-1-(azepan-1-yl)-3-[3-(azetidin-1-ylmethyl)phenoxy]propan-2-ol
CID 97274515

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 43364468) is 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Nc1cccc(OCC(O)CN2CCCC2)c1.
What is the InChIKey of 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is RPUWKMWWFFDESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-11-4-3-5-13(8-11)17-10-12(16)9-15-6-1-2-7-15/h3-5,8,12,16H,1-2,6-7,9-10,14H2.
What are the key properties of 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 236.31 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 43364468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).