2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol

C16H25NO2 — CID 114607159

IUPAC2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(18,12-17-9-10-19-2)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,17-18H,3,5-6,9-10,12H2,1-2H3
InChIKeyJKVUEKXPTKESHW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds7

About 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol

2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol (PubChem CID 114607159) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
PubChem CID114607159
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(C)(O)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H25NO2/c1-16(18,12-17-9-10-19-2)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,17-18H,3,5-6,9-10,12H2,1-2H3
InChIKeyJKVUEKXPTKESHW-UHFFFAOYSA-N
XLogP2.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
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

2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62772834
1-(3-cyclobutylphenyl)-1-cyclopropylethanol
CID 114601106
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethylamino)propan-2-ol
CID 62773797
1-(3-cyclobutylphenyl)-1-(3-methoxyphenyl)ethanol
CID 114601094
1-(2-methoxyethylamino)-2-quinolin-7-ylpropan-2-ol
CID 81221998
2-(3-cyclobutylphenyl)-2-methylpropan-1-amine
CID 114607219
1-(3-cyclobutylphenyl)-1-(4-methylphenyl)ethanol
CID 114601068
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072
1-(2-methoxyethylamino)-2-pyrimidin-5-ylpropan-2-ol
CID 66038263
1-(2-methoxyethylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62775363
1-(3-cyclobutylphenyl)-1-(2-methylphenyl)ethanol
CID 114601070
4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 79977194

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol (CID 114607159) is 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol is COCCNCC(C)(O)c1cccc(C2CCC2)c1.
What is the InChIKey of 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
The InChIKey is JKVUEKXPTKESHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(18,12-17-9-10-19-2)15-8-4-7-14(11-15)13-5-3-6-13/h4,7-8,11,13,17-18H,3,5-6,9-10,12H2,1-2H3.
What are the key properties of 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol?
2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol has a molecular weight of 263.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutylphenyl)-1-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 114607159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).