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

C11H14ClNO2 — CID 116944767

IUPAC[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
SMILESNC(c1ccc(Cl)cc1)C1(CO)COC1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)10(13)11(5-14)6-15-7-11/h1-4,10,14H,5-7,13H2
InChIKeyXKUILHPUUPFWDF-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.35
Rot. Bonds3

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

[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116944767) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
PubChem CID116944767
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol
SMILESNC(c1ccc(Cl)cc1)C1(CO)COC1
InChIInChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)10(13)11(5-14)6-15-7-11/h1-4,10,14H,5-7,13H2
InChIKeyXKUILHPUUPFWDF-UHFFFAOYSA-N
XLogP1.35
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[amino-(4-fluoro-3-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944770
[3-[(4-chlorophenyl)-(dimethylamino)methyl]oxetan-3-yl]methanol
CID 116912957
[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
1-[amino-(4-chlorophenyl)methyl]cyclobutan-1-ol
CID 130055465
[3-[amino-(2-chloro-4-methoxyphenyl)methyl]oxetan-3-yl]methanol
CID 116944825
[3-[amino-(2,3,4-trimethylphenyl)methyl]oxetan-3-yl]methanol
CID 116944873
[3-[amino-(4-tert-butyl-2-methylphenyl)methyl]oxetan-3-yl]methanol
CID 116944837
[1-[amino-(4-bromophenyl)methyl]cyclobutyl]methanol
CID 116944152
[3-(aminomethyl)oxetan-3-yl]-(2,4-dichlorophenyl)methanamine
CID 116944995
2,2-bis(4-chlorophenyl)ethanamine
CID 13110442
(2R)-2-amino-2-(4-chlorophenyl)ethanol;hydrochloride
CID 67033243

Frequently Asked Questions

What is the IUPAC name of [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol (CID 116944767) is [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol is NC(c1ccc(Cl)cc1)C1(CO)COC1.
What is the InChIKey of [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is XKUILHPUUPFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-9-3-1-8(2-4-9)10(13)11(5-14)6-15-7-11/h1-4,10,14H,5-7,13H2.
What are the key properties of [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol?
[3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 227.69 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[amino-(4-chlorophenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116944767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).