1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol

C15H24N2O3 — CID 102777704

IUPAC1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)COc2ccccc2N)C1CO
InChIInChI=1S/C15H24N2O3/c1-11-6-7-17(14(11)9-18)8-12(19)10-20-15-5-3-2-4-13(15)16/h2-5,11-12,14,18-19H,6-10,16H2,1H3
InChIKeySMPWVCOHTVUJIR-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.71
Rot. Bonds6

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

1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol (PubChem CID 102777704) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol
PubChem CID102777704
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol
SMILESCC1CCN(CC(O)COc2ccccc2N)C1CO
InChIInChI=1S/C15H24N2O3/c1-11-6-7-17(14(11)9-18)8-12(19)10-20-15-5-3-2-4-13(15)16/h2-5,11-12,14,18-19H,6-10,16H2,1H3
InChIKeySMPWVCOHTVUJIR-UHFFFAOYSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
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-(2-aminophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol
CID 61406761
1-(2-aminophenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 43364467
1-(2-aminophenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 43173893
1-(2-aminophenoxy)-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 62199243
1-(2-aminophenoxy)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43364486
1-(2-aminophenoxy)-3-[4-(2-methylphenyl)piperazin-1-yl]propan-2-ol;trihydrochloride
CID 3049135
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
1-[2-hydroxy-3-(2-methylphenoxy)propyl]piperidin-4-ol
CID 110877353
(2S)-1-(2-methylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 769296
(2S)-1-(2-chlorophenoxy)-3-[(2S)-2-methylpiperidin-1-yl]propan-2-ol
CID 51422995
1-(2-bromophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 4085306
1-[2-[(2R)-2-hydroxy-3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 25278451

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol (CID 102777704) is 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol is CC1CCN(CC(O)COc2ccccc2N)C1CO.
What is the InChIKey of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol?
The InChIKey is SMPWVCOHTVUJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-11-6-7-17(14(11)9-18)8-12(19)10-20-15-5-3-2-4-13(15)16/h2-5,11-12,14,18-19H,6-10,16H2,1H3.
What are the key properties of 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol?
1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenoxy)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 102777704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).