N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride

C13H20ClFN2O2 — CID 119405460

IUPACN-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCCCN)cc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-12-5-3-10(9-11(12)14)4-6-13(17)16-8-2-7-15;/h3,5,9H,2,4,6-8,15H2,1H3,(H,16,17);1H
InChIKeyOHOTWUJJWXHAAX-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.65
Rot. Bonds7

About N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride

N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride (PubChem CID 119405460) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
PubChem CID119405460
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
SMILESCOc1ccc(CCC(=O)NCCCN)cc1F.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-18-12-5-3-10(9-11(12)14)4-6-13(17)16-8-2-7-15;/h3,5,9H,2,4,6-8,15H2,1H3,(H,16,17);1H
InChIKeyOHOTWUJJWXHAAX-UHFFFAOYSA-N
XLogP1.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]butanamide;hydrochloride
CID 119318463
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
N-(3-aminopropyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 28754050
3-amino-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119318444
N'-[2-(3-fluoro-4-methoxyphenyl)ethyl]-N-(2-phenylethyl)hexanediamide
CID 21282395
3-(3-fluoro-4-methoxyphenyl)-N-(2-phenylsulfanylethyl)propanamide
CID 51275993
3-(3-fluoro-4-methoxyphenyl)-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 86914819
4-amino-N-[2-(4-ethoxy-3-fluorophenyl)ethyl]butanamide
CID 115155420
3-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]-2,2-dimethylpropanoic acid
CID 119249807
3-(3-fluoro-4-methoxyphenyl)-N-[2-(methylamino)propyl]propanamide
CID 120829586
2-(3-fluoro-4-methoxyphenyl)-N-(3-methoxypropyl)acetamide
CID 110766984
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride (CID 119405460) is N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride is COc1ccc(CCC(=O)NCCCN)cc1F.Cl.
What is the InChIKey of N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride?
The InChIKey is OHOTWUJJWXHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-18-12-5-3-10(9-11(12)14)4-6-13(17)16-8-2-7-15;/h3,5,9H,2,4,6-8,15H2,1H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride?
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119405460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).