(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine

C11H14F2N2 — CID 134585716

IUPAC(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine
SMILESN[C@H](CN1CC(F)(F)C1)c1ccccc1
InChIInChI=1S/C11H14F2N2/c12-11(13)7-15(8-11)6-10(14)9-4-2-1-3-5-9/h1-5,10H,6-8,14H2/t10-/m1/s1
InChIKeyBTQHCHOOUOPAPI-SNVBAGLBSA-N
MW212.24 g/mol
LogP1.64
Rot. Bonds3

About (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine

(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine (PubChem CID 134585716) has the molecular formula C11H14F2N2 and a molecular weight of 212.24 g/mol. Its IUPAC name is (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine
PubChem CID134585716
Molecular FormulaC11H14F2N2
Molecular Weight212.24 g/mol
Exact Mass212.11
IUPAC Name(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine
SMILESN[C@H](CN1CC(F)(F)C1)c1ccccc1
InChIInChI=1S/C11H14F2N2/c12-11(13)7-15(8-11)6-10(14)9-4-2-1-3-5-9/h1-5,10H,6-8,14H2/t10-/m1/s1
InChIKeyBTQHCHOOUOPAPI-SNVBAGLBSA-N
XLogP1.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(azetidin-1-yl)-1-phenylethanamine
CID 58948538
2-(3-fluoroazetidin-1-yl)-1-phenylethanamine;hydrochloride
CID 134586238
(1R)-2-morpholin-4-yl-1-phenylethanamine
CID 6927910
(1R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-phenylethanamine
CID 30072743
1-(2-amino-2-phenylethyl)pyrrolidin-3-ol
CID 18939029
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
1-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
CID 18069562
4-(2-amino-2-phenylethyl)thiomorpholine-3,5-dione
CID 113427947
1-phenyl-2-[3-(trifluoromethyl)piperidin-1-yl]ethanamine
CID 63771038
2-[4-(methoxymethyl)piperidin-1-yl]-1-phenylethanamine
CID 63973658
1-(2-amino-2-phenylethyl)pyridin-2-one
CID 16783269
1-(2-amino-2-phenylethyl)-1,4-diazepan-5-one
CID 63771217

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine?
The IUPAC name of (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine (CID 134585716) is (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine.
What is the SMILES notation for (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine?
The canonical SMILES for (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine is N[C@H](CN1CC(F)(F)C1)c1ccccc1.
What is the InChIKey of (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine?
The InChIKey is BTQHCHOOUOPAPI-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14F2N2/c12-11(13)7-15(8-11)6-10(14)9-4-2-1-3-5-9/h1-5,10H,6-8,14H2/t10-/m1/s1.
What are the key properties of (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine?
(1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine has a molecular weight of 212.24 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(3,3-difluoroazetidin-1-yl)-1-phenylethanamine is sourced from PubChem (CID 134585716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).