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

C12H18ClFN2O2 — CID 119335125

IUPAC3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)CCN.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(15-11(16)6-7-14)12-9(13)4-3-5-10(12)17-2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyOOGZNHBKBHSLTD-UHFFFAOYSA-N
MW276.74 g/mol
LogP1.78
Rot. Bonds5

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

3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride (PubChem CID 119335125) has the molecular formula C12H18ClFN2O2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
PubChem CID119335125
Molecular FormulaC12H18ClFN2O2
Molecular Weight276.74 g/mol
Exact Mass276.10
IUPAC Name3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)CCN.Cl
InChIInChI=1S/C12H17FN2O2.ClH/c1-8(15-11(16)6-7-14)12-9(13)4-3-5-10(12)17-2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H
InChIKeyOOGZNHBKBHSLTD-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

(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
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803793
5-[1-(2-fluoro-6-methoxyphenyl)ethylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 119138916
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119803788
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
(2S)-2-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-phenylpropanamide
CID 119335132
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
methyl (2S)-2-amino-2-(2-fluoro-6-methoxyphenyl)acetate;hydrochloride
CID 171210665
3-[(1S)-1-(2-fluoro-6-methoxyphenyl)ethyl]-1-methyl-1-[(2S)-1-methylsulfanylpropan-2-yl]urea
CID 96565746

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride (CID 119335125) is 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride is COc1cccc(F)c1C(C)NC(=O)CCN.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
The InChIKey is OOGZNHBKBHSLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2.ClH/c1-8(15-11(16)6-7-14)12-9(13)4-3-5-10(12)17-2;/h3-5,8H,6-7,14H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride?
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119335125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).