2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride

C11H16ClFN2 — CID 134586238

IUPAC2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(CN1CC(F)C1)c1ccccc1
InChIInChI=1S/C11H15FN2.ClH/c12-10-6-14(7-10)8-11(13)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2;1H
InChIKeyXMGXYDASBRJMMX-UHFFFAOYSA-N
MW230.71 g/mol
LogP1.76
Rot. Bonds3

About 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride

2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride (PubChem CID 134586238) has the molecular formula C11H16ClFN2 and a molecular weight of 230.71 g/mol. Its IUPAC name is 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
PubChem CID134586238
Molecular FormulaC11H16ClFN2
Molecular Weight230.71 g/mol
Exact Mass230.10
IUPAC Name2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
SMILESCl.NC(CN1CC(F)C1)c1ccccc1
InChIInChI=1S/C11H15FN2.ClH/c12-10-6-14(7-10)8-11(13)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2;1H
InChIKeyXMGXYDASBRJMMX-UHFFFAOYSA-N
XLogP1.76
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.71
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine
CID 134585716
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
1-[(2S)-2-amino-2-phenylethyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 112736995
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
2-(4-pentadecylpiperazin-1-yl)-1-phenylethanamine;hydrochloride
CID 139602937
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
1-(2-amino-2-phenylethyl)pyridin-2-one;hydrochloride
CID 91662965
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride?
The IUPAC name of 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride (CID 134586238) is 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride.
What is the SMILES notation for 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride?
The canonical SMILES for 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride is Cl.NC(CN1CC(F)C1)c1ccccc1.
What is the InChIKey of 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride?
The InChIKey is XMGXYDASBRJMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2.ClH/c12-10-6-14(7-10)8-11(13)9-4-2-1-3-5-9;/h1-5,10-11H,6-8,13H2;1H.
What are the key properties of 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride?
2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride has a molecular weight of 230.71 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride is sourced from PubChem (CID 134586238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).