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

C14H22ClFN2O2 — CID 120501620

IUPAC3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-8(9(2)16)14(18)17-10(3)13-11(15)6-5-7-12(13)19-4;/h5-10H,16H2,1-4H3,(H,17,18);1H
InChIKeyNACURYZZXKCDTL-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.42
Rot. Bonds5

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

3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride (PubChem CID 120501620) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
PubChem CID120501620
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC Name3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride
SMILESCOc1cccc(F)c1C(C)NC(=O)C(C)C(C)N.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-8(9(2)16)14(18)17-10(3)13-11(15)6-5-7-12(13)19-4;/h5-10H,16H2,1-4H3,(H,17,18);1H
InChIKeyNACURYZZXKCDTL-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.42
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
(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
(2R)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]propanamide;hydrochloride
CID 119285523
1-[1-(2-fluoro-6-methoxyphenyl)ethyl]-3-(2-hydroxyethyl)urea
CID 111474132
(2S)-2-amino-N-[1-(2,6-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119716488
9-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120990957
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]propan-2-amine
CID 115705454

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride (CID 120501620) is 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride is COc1cccc(F)c1C(C)NC(=O)C(C)C(C)N.Cl.
What is the InChIKey of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride?
The InChIKey is NACURYZZXKCDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-8(9(2)16)14(18)17-10(3)13-11(15)6-5-7-12(13)19-4;/h5-10H,16H2,1-4H3,(H,17,18);1H.
What are the key properties of 3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylbutanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.42, 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]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120501620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).