4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride

C14H22ClFN2O3 — CID 120587497

IUPAC4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCOc1ccccc1F.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-17(14(18)9-11(10-16)19-2)7-8-20-13-6-4-3-5-12(13)15;/h3-6,11H,7-10,16H2,1-2H3;1H
InChIKeyPVXWHJUOAZPUTR-UHFFFAOYSA-N
MW320.79 g/mol
LogP1.45
Rot. Bonds8

About 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride

4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120587497) has the molecular formula C14H22ClFN2O3 and a molecular weight of 320.79 g/mol. Its IUPAC name is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120587497
Molecular FormulaC14H22ClFN2O3
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCOC(CN)CC(=O)N(C)CCOc1ccccc1F.Cl
InChIInChI=1S/C14H21FN2O3.ClH/c1-17(14(18)9-11(10-16)19-2)7-8-20-13-6-4-3-5-12(13)15;/h3-6,11H,7-10,16H2,1-2H3;1H
InChIKeyPVXWHJUOAZPUTR-UHFFFAOYSA-N
XLogP1.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide;hydrochloride
CID 120587503
4-amino-3-methoxy-N-methyl-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 103155037
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
4-amino-3-methoxy-N-methyl-N-[2-(N-methylanilino)ethyl]butanamide;dihydrochloride
CID 120596713
4-amino-N-[2-(2-fluorophenoxy)ethyl]-N,2-dimethylbutanamide
CID 80542832
6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
2-amino-N-[2-(2-methoxyphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119294047
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368342
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 93368341
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride (CID 120587497) is 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride is COC(CN)CC(=O)N(C)CCOc1ccccc1F.Cl.
What is the InChIKey of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is PVXWHJUOAZPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O3.ClH/c1-17(14(18)9-11(10-16)19-2)7-8-20-13-6-4-3-5-12(13)15;/h3-6,11H,7-10,16H2,1-2H3;1H.
What are the key properties of 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 320.79 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120587497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).