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

C13H20N2O2 — CID 43364467

IUPAC1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1ccccc1OCC(O)CN1CCCC1
InChIInChI=1S/C13H20N2O2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyBDQRVJLRTXWDID-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.10
Rot. Bonds5

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

1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 43364467) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID43364467
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
SMILESNc1ccccc1OCC(O)CN1CCCC1
InChIInChI=1S/C13H20N2O2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10,14H2
InChIKeyBDQRVJLRTXWDID-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

(2R)-1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 2141702
1-(azepan-1-yl)-3-(2-chlorophenoxy)propan-2-ol
CID 16807396
(2R)-1-(2-bromophenoxy)-3-piperidin-1-ylpropan-2-ol
CID 808358
1-(2-bromophenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2914509
(2R)-1-(2-methylphenoxy)-3-piperidin-1-ylpropan-2-ol
CID 1149958
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62199243
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
2-(2-hydroxy-3-piperidin-1-ylpropoxy)benzonitrile
CID 43288772

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol (CID 43364467) is 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is Nc1ccccc1OCC(O)CN1CCCC1.
What is the InChIKey of 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is BDQRVJLRTXWDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-12-5-1-2-6-13(12)17-10-11(16)9-15-7-3-4-8-15/h1-2,5-6,11,16H,3-4,7-10,14H2.
What are the key properties of 1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol?
1-(2-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-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 43364467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).