(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine

C11H14FNO2 — CID 68520146

IUPAC(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine
SMILESN[C@@H](Cc1ccccc1F)C1OCCO1
InChIInChI=1S/C11H14FNO2/c12-9-4-2-1-3-8(9)7-10(13)11-14-5-6-15-11/h1-4,10-11H,5-7,13H2/t10-/m0/s1
InChIKeyHJKXFCCLSOKEKD-JTQLQIEISA-N
MW211.24 g/mol
LogP1.07
Rot. Bonds3

About (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine

(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 68520146) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID68520146
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine
SMILESN[C@@H](Cc1ccccc1F)C1OCCO1
InChIInChI=1S/C11H14FNO2/c12-9-4-2-1-3-8(9)7-10(13)11-14-5-6-15-11/h1-4,10-11H,5-7,13H2/t10-/m0/s1
InChIKeyHJKXFCCLSOKEKD-JTQLQIEISA-N
XLogP1.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine (CID 68520146) is (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine is N[C@@H](Cc1ccccc1F)C1OCCO1.
What is the InChIKey of (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is HJKXFCCLSOKEKD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-4-2-1-3-8(9)7-10(13)11-14-5-6-15-11/h1-4,10-11H,5-7,13H2/t10-/m0/s1.
What are the key properties of (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine?
(1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 211.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-dioxolan-2-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 68520146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).