[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol

C14H21NO4 — CID 116944822

IUPAC[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C(N)C2(CO)COC2)c(OC)cc1C
InChIInChI=1S/C14H21NO4/c1-9-4-12(18-3)10(5-11(9)17-2)13(15)14(6-16)7-19-8-14/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyQQSWEYLRKBDBOH-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.02
Rot. Bonds5

About [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol

[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944822) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944822
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1cc(C(N)C2(CO)COC2)c(OC)cc1C
InChIInChI=1S/C14H21NO4/c1-9-4-12(18-3)10(5-11(9)17-2)13(15)14(6-16)7-19-8-14/h4-5,13,16H,6-8,15H2,1-3H3
InChIKeyQQSWEYLRKBDBOH-UHFFFAOYSA-N
XLogP1.02
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(aminomethyl)oxetan-3-yl]-(4-methoxy-2,5-dimethylphenyl)methanamine
CID 116944935
[1-[amino-(4,5-dimethoxy-2-methylphenyl)methyl]cyclopropyl]methanol
CID 116943251
[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944837
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
[1-(aminomethyl)cyclopropyl]-(2-methoxy-4,5-dimethylphenyl)methanamine
CID 116943373
3-amino-3-(2,5-dimethoxy-4-methylphenyl)propanehydrazide
CID 116848790
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
[3-(aminomethyl)oxetan-3-yl]-(2,5-dimethoxyphenyl)methanamine
CID 116944913
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol (CID 116944822) is [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol is COc1cc(C(N)C2(CO)COC2)c(OC)cc1C.
What is the InChIKey of [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is QQSWEYLRKBDBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9-4-12(18-3)10(5-11(9)17-2)13(15)14(6-16)7-19-8-14/h4-5,13,16H,6-8,15H2,1-3H3.
What are the key properties of [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 267.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).