(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride

C12H18ClFN2O2 — CID 119335139

IUPAC(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-7(14)12(16)15-8(2)11-9(13)5-4-6-10(11)17-3;/h4-8H,14H2,1-3H3,(H,15,16);1H/t7-,8?;/m1./s1
InChIKeyUSKZPRCXSBUZOE-PGMKYVDRSA-N
MW276.74 g/mol
LogP1.78
Rot. Bonds4

About (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119335139) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119335139
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-7(14)12(16)15-8(2)11-9(13)5-4-6-10(11)17-3;/h4-8H,14H2,1-3H3,(H,15,16);1H/t7-,8?;/m1./s1
InChIKeyUSKZPRCXSBUZOE-PGMKYVDRSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
(2R)-2-amino-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119292617

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride (CID 119335139) is (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride is COc1cccc(F)c1C(C)NC(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is USKZPRCXSBUZOE-PGMKYVDRSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-7(14)12(16)15-8(2)11-9(13)5-4-6-10(11)17-3;/h4-8H,14H2,1-3H3,(H,15,16);1H/t7-,8?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119335139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).