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

C15H24N2O2 — CID 62466799

IUPAC3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1cccc(OCCN2CCCC2CCCO)c1
InChIInChI=1S/C15H24N2O2/c16-13-4-1-7-15(12-13)19-11-9-17-8-2-5-14(17)6-3-10-18/h1,4,7,12,14,18H,2-3,5-6,8-11,16H2
InChIKeyYTVPFMMBJVLLMF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.88
Rot. Bonds7

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

3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62466799) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62466799
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
SMILESNc1cccc(OCCN2CCCC2CCCO)c1
InChIInChI=1S/C15H24N2O2/c16-13-4-1-7-15(12-13)19-11-9-17-8-2-5-14(17)6-3-10-18/h1,4,7,12,14,18H,2-3,5-6,8-11,16H2
InChIKeyYTVPFMMBJVLLMF-UHFFFAOYSA-N
XLogP1.88
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.88
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

3-[1-[3-(3-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62467990
[1-[3-(3-aminophenoxy)propyl]piperidin-2-yl]methanol
CID 61406719
3-[1-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467287
3-[1-[2-(4-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 55076411
3-[1-[3-(2-aminophenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 62466981
3-[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol
CID 62467802
2-[2-[2-(3-methylphenoxy)ethyl]pyrrolidin-1-yl]ethanamine
CID 112518629
1-[2-(3-aminophenoxy)ethyl]piperidin-3-ol
CID 43575244
1-[2-(3-aminophenoxy)ethyl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194843
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
[1-[2-(3-fluorophenoxy)ethyl]piperidin-2-yl]methanol
CID 110892154
3-[1-[3-(2-methylphenoxy)propyl]pyrrolidin-2-yl]propan-1-ol
CID 111103083

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol (CID 62466799) is 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is Nc1cccc(OCCN2CCCC2CCCO)c1.
What is the InChIKey of 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is YTVPFMMBJVLLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-13-4-1-7-15(12-13)19-11-9-17-8-2-5-14(17)6-3-10-18/h1,4,7,12,14,18H,2-3,5-6,8-11,16H2.
What are the key properties of 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 264.37 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(3-aminophenoxy)ethyl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62466799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).