2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol

C14H21NO2 — CID 116874495

IUPAC2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
SMILESCc1cc(C)c(C2(C(O)CN)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-9-4-11(3)12(5-10(9)2)14(7-17-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyWCPVKUALOYHQEY-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.20
Rot. Bonds3

About 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol

2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol (PubChem CID 116874495) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
PubChem CID116874495
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol
SMILESCc1cc(C)c(C2(C(O)CN)COC2)cc1C
InChIInChI=1S/C14H21NO2/c1-9-4-11(3)12(5-10(9)2)14(7-17-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyWCPVKUALOYHQEY-UHFFFAOYSA-N
XLogP1.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[3-(4,5-dimethoxy-2-methylphenyl)oxetan-3-yl]ethanol
CID 116874500
2-amino-1-[3-(3-methylthiophen-2-yl)oxetan-3-yl]ethanol
CID 116874546
2-amino-1-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]ethanol
CID 116874468
2-amino-1-(3-naphthalen-2-yloxetan-3-yl)ethanol
CID 116874541
2-amino-2-[3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)oxetan-3-yl]ethanol
CID 116874416
2-amino-2-[3-(6-methyl-1,3-benzodioxol-5-yl)oxetan-3-yl]ethanol
CID 116874447
2-[3-(4-methoxy-2,5-dimethylphenyl)oxetan-3-yl]propanoic acid
CID 116872053
6-[3-(2-amino-1-hydroxyethyl)oxetan-3-yl]-3,4-dihydro-1H-quinolin-2-one
CID 116874484
3-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]cyclobutan-1-amine
CID 116871328
2-amino-2-[3-(2-methoxy-4,5-dimethylphenyl)oxetan-3-yl]acetic acid
CID 116874328
2-amino-1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]ethanol
CID 116874515
N-[[3-(2,4,5-trimethylphenyl)oxetan-3-yl]methyl]ethanamine
CID 116870511

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol (CID 116874495) is 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol is Cc1cc(C)c(C2(C(O)CN)COC2)cc1C.
What is the InChIKey of 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol?
The InChIKey is WCPVKUALOYHQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-4-11(3)12(5-10(9)2)14(7-17-8-14)13(16)6-15/h4-5,13,16H,6-8,15H2,1-3H3.
What are the key properties of 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol?
2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol has a molecular weight of 235.33 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2,4,5-trimethylphenyl)oxetan-3-yl]ethanol is sourced from PubChem (CID 116874495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).