1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

C13H20FNO2 — CID 66037529

IUPAC1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCOCCNCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-13(16,10-15-7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyCOUPJKDCVYQOTD-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.36
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol

1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (PubChem CID 66037529) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
PubChem CID66037529
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
SMILESCOCCNCC(C)(O)Cc1ccc(F)cc1
InChIInChI=1S/C13H20FNO2/c1-13(16,10-15-7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3
InChIKeyCOUPJKDCVYQOTD-UHFFFAOYSA-N
XLogP1.36
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
1-(3-bromo-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66036830
1-(3-bromo-5-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 79711078
1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
2-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)-2-methylpentan-1-amine
CID 62724025
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
1-(4-chloro-2-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 114861733
2-(4-fluorophenyl)-N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982951
2-(4-fluorophenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 71782018
2-(4-fluorophenyl)-N-[(2S)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 95982952
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-(4-fluorophenyl)-4,4-dimethoxy-2-methylbutan-2-ol
CID 2781108

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol (CID 66037529) is 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is COCCNCC(C)(O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
The InChIKey is COUPJKDCVYQOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-13(16,10-15-7-8-17-2)9-11-3-5-12(14)6-4-11/h3-6,15-16H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol?
1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol has a molecular weight of 241.31 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 66037529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).