(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

C12H18ClFN2O — CID 119275395

IUPAC(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(F)cc1)N(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-8(14)12(16)15(3)9(2)10-4-6-11(13)7-5-10;/h4-9H,14H2,1-3H3;1H/t8-,9?;/m1./s1
InChIKeyYXNZBRANJYSXQA-URIXSHMWSA-N
MW260.74 g/mol
LogP2.11
Rot. Bonds3

About (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride

(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (PubChem CID 119275395) has the molecular formula C12H18ClFN2O and a molecular weight of 260.74 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
PubChem CID119275395
Molecular FormulaC12H18ClFN2O
Molecular Weight260.74 g/mol
Exact Mass260.11
IUPAC Name(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
SMILESCC(c1ccc(F)cc1)N(C)C(=O)[C@@H](C)N.Cl
InChIInChI=1S/C12H17FN2O.ClH/c1-8(14)12(16)15(3)9(2)10-4-6-11(13)7-5-10;/h4-9H,14H2,1-3H3;1H/t8-,9?;/m1./s1
InChIKeyYXNZBRANJYSXQA-URIXSHMWSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 124671108
(2R)-2-amino-N-methyl-N-[1-(4-methylphenyl)ethyl]propanamide
CID 78973314
(2R)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide;hydrochloride
CID 120872784
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 116676248
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119268141
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
CID 115432049
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride (CID 119275395) is (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is CC(c1ccc(F)cc1)N(C)C(=O)[C@@H](C)N.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
The InChIKey is YXNZBRANJYSXQA-URIXSHMWSA-N. The full InChI is InChI=1S/C12H17FN2O.ClH/c1-8(14)12(16)15(3)9(2)10-4-6-11(13)7-5-10;/h4-9H,14H2,1-3H3;1H/t8-,9?;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride?
(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride has a molecular weight of 260.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 119275395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).