N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

C14H22ClFN2O — CID 119408534

IUPACN-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)Cc1cccc(F)c1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-11(9-14(18)17-7-3-6-16)8-12-4-2-5-13(15)10-12;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,18);1H
InChIKeyHFLSWDCBEVYIEM-UHFFFAOYSA-N
MW288.79 g/mol
LogP2.28
Rot. Bonds7

About N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride

N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (PubChem CID 119408534) has the molecular formula C14H22ClFN2O and a molecular weight of 288.79 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
PubChem CID119408534
Molecular FormulaC14H22ClFN2O
Molecular Weight288.79 g/mol
Exact Mass288.14
IUPAC NameN-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCCN)Cc1cccc(F)c1.Cl
InChIInChI=1S/C14H21FN2O.ClH/c1-11(9-14(18)17-7-3-6-16)8-12-4-2-5-13(15)10-12;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,18);1H
InChIKeyHFLSWDCBEVYIEM-UHFFFAOYSA-N
XLogP2.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.79
LogP ≤ 52.28
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

N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-(3-aminopropyl)-2-(3-fluorophenyl)acetamide
CID 24690236
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
N-(1-amino-2-methylpropan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119524696
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119608606
N-(3-aminopropyl)-4-(3-fluorophenyl)-2-methylbutanamide
CID 119405222
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
4-(3-fluorophenyl)-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbutanamide
CID 111542772
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride
CID 119599995
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride (CID 119408534) is N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is CC(CC(=O)NCCCN)Cc1cccc(F)c1.Cl.
What is the InChIKey of N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
The InChIKey is HFLSWDCBEVYIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O.ClH/c1-11(9-14(18)17-7-3-6-16)8-12-4-2-5-13(15)10-12;/h2,4-5,10-11H,3,6-9,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride?
N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride has a molecular weight of 288.79 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-(3-fluorophenyl)-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 119408534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).