(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

C12H17FN2O2 — CID 54995498

IUPAC(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(14)12(16)15(2)7-8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3/t9-/m1/s1
InChIKeyQFXAUCTYTVZZNG-SECBINFHSA-N
MW240.28 g/mol
LogP1.01
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide

(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (PubChem CID 54995498) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
PubChem CID54995498
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
SMILESC[C@@H](N)C(=O)N(C)CCOc1ccc(F)cc1
InChIInChI=1S/C12H17FN2O2/c1-9(14)12(16)15(2)7-8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3/t9-/m1/s1
InChIKeyQFXAUCTYTVZZNG-SECBINFHSA-N
XLogP1.01
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 54869918
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831117
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-(2-methoxyethyl)propanamide;hydrochloride
CID 119321215
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274352
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methyl-4-methylsulfonylbutanamide
CID 119956183
2-(azetidin-3-yl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 116676225
1-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464033
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
(2S)-2-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]propanamide;hydrochloride
CID 119306168
3-[2-(4-fluorophenoxy)ethyl-methylamino]-2-methylpropanoic acid
CID 55007792
(2S)-2-amino-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbutanamide
CID 79024598

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide (CID 54995498) is (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is C[C@@H](N)C(=O)N(C)CCOc1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
The InChIKey is QFXAUCTYTVZZNG-SECBINFHSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9(14)12(16)15(2)7-8-17-11-5-3-10(13)4-6-11/h3-6,9H,7-8,14H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide?
(2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide has a molecular weight of 240.28 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide is sourced from PubChem (CID 54995498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).