1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol

C16H27NO2 — CID 62775363

IUPAC1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14-5-7-15(8-6-14)16(3,18)12-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyGUPGVWJRZWJBGQ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.33
Rot. Bonds8

About 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol

1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 62775363) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID62775363
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCOCCNCC(C)(O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C16H27NO2/c1-13(2)11-14-5-7-15(8-6-14)16(3,18)12-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3
InChIKeyGUPGVWJRZWJBGQ-UHFFFAOYSA-N
XLogP2.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.33
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-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
1-(4-tert-butylphenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66038264
4-methoxy-2-methyl-1-[[4-(2-methylpropyl)phenyl]methylamino]butan-2-ol
CID 103748411
2-(2-methoxyethylamino)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60904141
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
2-[[2-methyl-2-[4-(2-methylpropyl)phenyl]propyl]amino]ethanol
CID 115216500
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
N-(2-methoxyethyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 78814646
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol (CID 62775363) is 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol is COCCNCC(C)(O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is GUPGVWJRZWJBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-13(2)11-14-5-7-15(8-6-14)16(3,18)12-17-9-10-19-4/h5-8,13,17-18H,9-12H2,1-4H3.
What are the key properties of 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 62775363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).