1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol

C16H26N2O2 — CID 115475222

IUPAC1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
SMILESCOCCNCC(O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O2/c1-20-10-8-17-11-16(19)13-18-9-7-15(12-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3
InChIKeyRFKCSSHJGRDQLS-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.07
Rot. Bonds8

About 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol

1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol (PubChem CID 115475222) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
PubChem CID115475222
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
SMILESCOCCNCC(O)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C16H26N2O2/c1-20-10-8-17-11-16(19)13-18-9-7-15(12-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3
InChIKeyRFKCSSHJGRDQLS-UHFFFAOYSA-N
XLogP1.07
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[(2-methylpropan-2-yl)oxy]-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 94824860
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475228
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
N-ethyl-2-methyl-3-(3-phenylpyrrolidin-1-yl)propan-1-amine
CID 62412984
3-methoxy-2-(3-phenylpyrrolidin-1-yl)-N-propylpropan-1-amine
CID 103225133
N-(3-methoxypropyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]acetamide
CID 95147881
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
(3S)-3-phenyl-1-(2-propan-2-yloxyethyl)pyrrolidine
CID 95299881

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol (CID 115475222) is 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol is COCCNCC(O)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is RFKCSSHJGRDQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-20-10-8-17-11-16(19)13-18-9-7-15(12-18)14-5-3-2-4-6-14/h2-6,15-17,19H,7-13H2,1H3.
What are the key properties of 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol?
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 278.40 g/mol, XLogP of 1.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 115475222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).