[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

C11H13FN2O2 — CID 115299657

IUPAC[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(3-8)11(16)14-5-7(4-13)6-14/h1-3,7,15H,4-6,13H2
InChIKeyDCJIPVAGEJHZPM-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.56
Rot. Bonds2

About [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone

[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (PubChem CID 115299657) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
PubChem CID115299657
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
SMILESNCC1CN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(3-8)11(16)14-5-7(4-13)6-14/h1-3,7,15H,4-6,13H2
InChIKeyDCJIPVAGEJHZPM-UHFFFAOYSA-N
XLogP0.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-fluoro-2-hydroxyphenyl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 115299319
1-(5-fluoro-2-hydroxybenzoyl)azetidine-3-carboxylic acid
CID 115298536
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
[3-(chloromethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299541
[3-(2-chloroethyl)pyrrolidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 114801111
[3-(2-bromoethyl)piperidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299572
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
CID 119465009
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(5-fluoro-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 79883095
(3-amino-4-methylpiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299398
(4-ethyl-3-methylpiperazin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299105

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone (CID 115299657) is [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is NCC1CN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
The InChIKey is DCJIPVAGEJHZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(3-8)11(16)14-5-7(4-13)6-14/h1-3,7,15H,4-6,13H2.
What are the key properties of [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone?
[3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone has a molecular weight of 224.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)azetidin-1-yl]-(5-fluoro-2-hydroxyphenyl)methanone is sourced from PubChem (CID 115299657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).