[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

C13H19NO3 — CID 116959457

IUPAC[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(OC)cc1)C1(CO)COC1
InChIInChI=1S/C13H19NO3/c1-14-12(13(7-15)8-17-9-13)10-3-5-11(16-2)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyGQVKBJXJVFXPKA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.96
Rot. Bonds5

About [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol

[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (PubChem CID 116959457) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
PubChem CID116959457
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
SMILESCNC(c1ccc(OC)cc1)C1(CO)COC1
InChIInChI=1S/C13H19NO3/c1-14-12(13(7-15)8-17-9-13)10-3-5-11(16-2)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3
InChIKeyGQVKBJXJVFXPKA-UHFFFAOYSA-N
XLogP0.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959480
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
1-[(4-methoxyphenyl)-(methylamino)methyl]cyclobutane-1-carboxylic acid
CID 116958932
[3-[methylamino-(2-methyl-1,3-benzoxazol-5-yl)methyl]oxetan-3-yl]methanol
CID 116959513
[3-[(5-chlorothiophen-2-yl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959472
[1-[(3-bromo-4-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959023
1-(3-methoxyphenyl)-N-methyl-1-(3-methyloxetan-3-yl)methanamine
CID 123817997
3-[methylamino-(4-propan-2-yloxyphenyl)methyl]oxetane-3-carbonitrile
CID 116959266
2-(6-methoxynaphthalen-2-yl)-2-(methylamino)ethanol
CID 61055119
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
[1-[(2-methoxyphenyl)-(methylamino)methyl]cyclobutyl]methanol
CID 116959077
(R)-[4-(aminomethyl)oxan-4-yl]-(4-methoxyphenyl)methanol
CID 97035178

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol (CID 116959457) is [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is CNC(c1ccc(OC)cc1)C1(CO)COC1.
What is the InChIKey of [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
The InChIKey is GQVKBJXJVFXPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-14-12(13(7-15)8-17-9-13)10-3-5-11(16-2)6-4-10/h3-6,12,14-15H,7-9H2,1-2H3.
What are the key properties of [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol?
[3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol has a molecular weight of 237.30 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116959457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).