1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol

C14H22N2O2 — CID 61223978

IUPAC1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O2/c1-11-5-6-16(8-11)9-13(17)10-18-14-4-2-3-12(15)7-14/h2-4,7,11,13,17H,5-6,8-10,15H2,1H3
InChIKeyJLQRXNOBYAPGIA-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.35
Rot. Bonds5

About 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol

1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 61223978) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID61223978
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCN(CC(O)COc2cccc(N)c2)C1
InChIInChI=1S/C14H22N2O2/c1-11-5-6-16(8-11)9-13(17)10-18-14-4-2-3-12(15)7-14/h2-4,7,11,13,17H,5-6,8-10,15H2,1H3
InChIKeyJLQRXNOBYAPGIA-UHFFFAOYSA-N
XLogP1.35
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.35
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-(aminomethyl)phenoxy]-3-(3-methylpyrrolidin-1-yl)propan-2-ol
CID 61221833
1-(3-aminophenoxy)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
CID 114797133
1-[3-(3-aminophenoxy)-2-hydroxypropyl]pyrrolidine-3,4-diol
CID 106667883
1-(3-aminophenoxy)-3-[4-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 43364555
ethyl 3-[2-hydroxy-3-(3-methylpyrrolidin-1-yl)propoxy]benzoate
CID 86880419
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
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
1-(3-aminophenoxy)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 65283726
3-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]benzonitrile
CID 43288589
1-(3-aminophenoxy)-3-(1,1-dioxo-1,4-thiazinan-4-yl)propan-2-ol
CID 43581117

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol (CID 61223978) is 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol is CC1CCN(CC(O)COc2cccc(N)c2)C1.
What is the InChIKey of 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is JLQRXNOBYAPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11-5-6-16(8-11)9-13(17)10-18-14-4-2-3-12(15)7-14/h2-4,7,11,13,17H,5-6,8-10,15H2,1H3.
What are the key properties of 1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol?
1-(3-aminophenoxy)-3-(3-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 1.35, 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-(3-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 61223978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).