[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol

C14H21NO2 — CID 116944873

IUPAC[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1ccc(C(N)C2(CO)COC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-9-4-5-12(11(3)10(9)2)13(15)14(6-16)7-17-8-14/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyYGFVRTVMYRVZLM-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.62
Rot. Bonds3

About [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol

[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944873) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944873
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1ccc(C(N)C2(CO)COC2)c(C)c1C
InChIInChI=1S/C14H21NO2/c1-9-4-5-12(11(3)10(9)2)13(15)14(6-16)7-17-8-14/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyYGFVRTVMYRVZLM-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944837
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
CID 116944767
[1-[methylamino-(2,3,4-trimethylphenyl)methyl]cyclobutyl]methanol
CID 116959084
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol (CID 116944873) is [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol is Cc1ccc(C(N)C2(CO)COC2)c(C)c1C.
What is the InChIKey of [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is YGFVRTVMYRVZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-4-5-12(11(3)10(9)2)13(15)14(6-16)7-17-8-14/h4-5,13,16H,6-8,15H2,1-3H3.
What are the key properties of [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 235.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).