2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol

C15H23NO2 — CID 116874468

IUPAC2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
SMILESCC(C)Cc1ccc(C2(C(O)CN)COC2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)7-12-3-5-13(6-4-12)15(9-18-10-15)14(17)8-16/h3-6,11,14,17H,7-10,16H2,1-2H3
InChIKeyOGRRZTXMEKKYNK-UHFFFAOYSA-N
MW249.35 g/mol
LogP1.47
Rot. Bonds5

About 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol

2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol (PubChem CID 116874468) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
PubChem CID116874468
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
SMILESCC(C)Cc1ccc(C2(C(O)CN)COC2)cc1
InChIInChI=1S/C15H23NO2/c1-11(2)7-12-3-5-13(6-4-12)15(9-18-10-15)14(17)8-16/h3-6,11,14,17H,7-10,16H2,1-2H3
InChIKeyOGRRZTXMEKKYNK-UHFFFAOYSA-N
XLogP1.47
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]butan-1-amine
CID 116870189
2-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116872045
2-amino-1-(3-naphthalen-2-yloxetan-3-yl)ethanol
CID 116874541
[1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclopropyl]methanol
CID 116874719
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116874484
1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874884
3-amino-1-(dimethylamino)-1-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 116911685
[3-[[N-methyl-4-(2-methylpropyl)anilino]methyl]oxetan-3-yl]methanol
CID 115248876
1-[4-(2-methylpropyl)phenyl]cyclopropane-1-carbohydrazide
CID 116844123

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol (CID 116874468) is 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol is CC(C)Cc1ccc(C2(C(O)CN)COC2)cc1.
What is the InChIKey of 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol?
The InChIKey is OGRRZTXMEKKYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)7-12-3-5-13(6-4-12)15(9-18-10-15)14(17)8-16/h3-6,11,14,17H,7-10,16H2,1-2H3.
What are the key properties of 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol?
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol is sourced from PubChem (CID 116874468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).