N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride

C13H20ClFN2O — CID 119406829

IUPACN-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCCCN)c1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-13(2,12(17)16-9-5-8-15)10-6-3-4-7-11(10)14;/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,17);1H
InChIKeyQTVYGGPCWDXPDD-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.99
Rot. Bonds5

About N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride

N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride (PubChem CID 119406829) has the molecular formula C13H20ClFN2O and a molecular weight of 274.77 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride
PubChem CID119406829
Molecular FormulaC13H20ClFN2O
Molecular Weight274.77 g/mol
Exact Mass274.12
IUPAC NameN-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride
SMILESCC(C)(C(=O)NCCCN)c1ccccc1F.Cl
InChIInChI=1S/C13H19FN2O.ClH/c1-13(2,12(17)16-9-5-8-15)10-6-3-4-7-11(10)14;/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,17);1H
InChIKeyQTVYGGPCWDXPDD-UHFFFAOYSA-N
XLogP1.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride (CID 119406829) is N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride is CC(C)(C(=O)NCCCN)c1ccccc1F.Cl.
What is the InChIKey of N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride?
The InChIKey is QTVYGGPCWDXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O.ClH/c1-13(2,12(17)16-9-5-8-15)10-6-3-4-7-11(10)14;/h3-4,6-7H,5,8-9,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride?
N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride has a molecular weight of 274.77 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(2-fluorophenyl)-2-methylpropanamide;hydrochloride is sourced from PubChem (CID 119406829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).