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

C12H16FNO3 — CID 116944776

IUPAC[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1ccc(C(N)C2(CO)COC2)cc1F
InChIInChI=1S/C12H16FNO3/c1-16-10-3-2-8(4-9(10)13)11(14)12(5-15)6-17-7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyRSUCLJIYDQTTTO-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.84
Rot. Bonds4

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

[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944776) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944776
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
SMILESCOc1ccc(C(N)C2(CO)COC2)cc1F
InChIInChI=1S/C12H16FNO3/c1-16-10-3-2-8(4-9(10)13)11(14)12(5-15)6-17-7-12/h2-4,11,15H,5-7,14H2,1H3
InChIKeyRSUCLJIYDQTTTO-UHFFFAOYSA-N
XLogP0.84
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
[1-(aminomethyl)cyclobutyl]-(3-fluoro-4-methoxyphenyl)methanamine
CID 116943800
1-[3-(aminomethyl)oxetan-3-yl]-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 116959571
[3-[amino-(2,5-dimethoxy-4-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944822
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
4-amino-4-(3-fluoro-4-methoxyphenyl)butan-1-ol
CID 116861391
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine;hydrochloride
CID 171220989
1-[amino-(3-fluoro-4-methoxyphenyl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79059390

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol (CID 116944776) is [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol is COc1ccc(C(N)C2(CO)COC2)cc1F.
What is the InChIKey of [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is RSUCLJIYDQTTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-16-10-3-2-8(4-9(10)13)11(14)12(5-15)6-17-7-12/h2-4,11,15H,5-7,14H2,1H3.
What are the key properties of [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 241.26 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(3-fluoro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).