(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine

C13H20FNO2 — CID 57461931

IUPAC(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine
SMILESCOC(F)(Cc1ccc(C[C@@H](C)N)cc1)OC
InChIInChI=1S/C13H20FNO2/c1-10(15)8-11-4-6-12(7-5-11)9-13(14,16-2)17-3/h4-7,10H,8-9,15H2,1-3H3/t10-/m1/s1
InChIKeyYQJZECKRJOPSTG-SNVBAGLBSA-N
MW241.31 g/mol
LogP2.03
Rot. Bonds6

About (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine

(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine (PubChem CID 57461931) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine
PubChem CID57461931
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine
SMILESCOC(F)(Cc1ccc(C[C@@H](C)N)cc1)OC
InChIInChI=1S/C13H20FNO2/c1-10(15)8-11-4-6-12(7-5-11)9-13(14,16-2)17-3/h4-7,10H,8-9,15H2,1-3H3/t10-/m1/s1
InChIKeyYQJZECKRJOPSTG-SNVBAGLBSA-N
XLogP2.03
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine?
The IUPAC name of (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine (CID 57461931) is (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine.
What is the SMILES notation for (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine?
The canonical SMILES for (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine is COC(F)(Cc1ccc(C[C@@H](C)N)cc1)OC.
What is the InChIKey of (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine?
The InChIKey is YQJZECKRJOPSTG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-10(15)8-11-4-6-12(7-5-11)9-13(14,16-2)17-3/h4-7,10H,8-9,15H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine?
(2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine has a molecular weight of 241.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-fluoro-2,2-dimethoxyethyl)phenyl]propan-2-amine is sourced from PubChem (CID 57461931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).