[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol

C16H25NO2 — CID 116944837

IUPAC[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1C(N)C1(CO)COC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(15(2,3)4)5-6-13(11)14(17)16(8-18)9-19-10-16/h5-7,14,18H,8-10,17H2,1-4H3
InChIKeyZZBFONJGNUBDIJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.30
Rot. Bonds3

About [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol

[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944837) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944837
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C(C)(C)C)ccc1C(N)C1(CO)COC1
InChIInChI=1S/C16H25NO2/c1-11-7-12(15(2,3)4)5-6-13(11)14(17)16(8-18)9-19-10-16/h5-7,14,18H,8-10,17H2,1-4H3
InChIKeyZZBFONJGNUBDIJ-UHFFFAOYSA-N
XLogP2.30
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
2-[amino-(4-tert-butyl-2-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116938640
1-(4-tert-butyl-2-methylphenyl)-2-chloroethanamine
CID 116937590
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
2-[amino-(4-tert-butyl-2-methylphenyl)methyl]butanoic acid
CID 116945103
2-amino-2-(4-tert-butyl-2-methylphenyl)acetamide
CID 116850789
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol (CID 116944837) is [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol is Cc1cc(C(C)(C)C)ccc1C(N)C1(CO)COC1.
What is the InChIKey of [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is ZZBFONJGNUBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-12(15(2,3)4)5-6-13(11)14(17)16(8-18)9-19-10-16/h5-7,14,18H,8-10,17H2,1-4H3.
What are the key properties of [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 263.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).