[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol

C12H16FNO2 — CID 116944770

IUPAC[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C(N)C2(CO)COC2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8-4-9(2-3-10(8)13)11(14)12(5-15)6-16-7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyJRROIDQUUCKWRT-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.14
Rot. Bonds3

About [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol

[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944770) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944770
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
SMILESCc1cc(C(N)C2(CO)COC2)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8-4-9(2-3-10(8)13)11(14)12(5-15)6-16-7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyJRROIDQUUCKWRT-UHFFFAOYSA-N
XLogP1.14
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944776
[3-[amino-(2-methyl-1,3-benzoxazol-6-yl)methyl]oxetan-3-yl]methanol
CID 116944839
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944837
[3-[(3,4-dimethylphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959451
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
[3-(4-fluoro-3-methylphenyl)sulfanyloxetan-3-yl]methanol
CID 117035245
(1S)-2-fluoro-1-(4-fluoro-3-methylphenyl)ethanamine;hydrochloride
CID 171204161
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol (CID 116944770) is [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol is Cc1cc(C(N)C2(CO)COC2)ccc1F.
What is the InChIKey of [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is JRROIDQUUCKWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-4-9(2-3-10(8)13)11(14)12(5-15)6-16-7-12/h2-4,11,15H,5-7,14H2,1H3.
What are the key properties of [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).