N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H22ClFN2O2 — CID 119803793

IUPACN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1c(F)cccc1OC.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-9(8-16-3)14(18)17-10(2)13-11(15)6-5-7-12(13)19-4;/h5-7,9-10,16H,8H2,1-4H3,(H,17,18);1H
InChIKeyKUWAKEFXRNBQJR-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.29
Rot. Bonds6

About N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119803793) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119803793
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC NameN-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC(C)c1c(F)cccc1OC.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-9(8-16-3)14(18)17-10(2)13-11(15)6-5-7-12(13)19-4;/h5-7,9-10,16H,8H2,1-4H3,(H,17,18);1H
InChIKeyKUWAKEFXRNBQJR-UHFFFAOYSA-N
XLogP2.29
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335139
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
CID 120501620
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119335125
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111508273
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
methyl 2-[[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetate
CID 97334412
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111505609
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
5-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119138916

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119803793) is N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is CNCC(C)C(=O)NC(C)c1c(F)cccc1OC.Cl.
What is the InChIKey of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is KUWAKEFXRNBQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-9(8-16-3)14(18)17-10(2)13-11(15)6-5-7-12(13)19-4;/h5-7,9-10,16H,8H2,1-4H3,(H,17,18);1H.
What are the key properties of N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119803793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).