N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride

C14H22ClFN2O2 — CID 119584118

IUPACN-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1F.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15;/h3-4,6-7,11H,5,8-10,16H2,1-2H3;1H
InChIKeyBZKDWMYBNAWZFY-UHFFFAOYSA-N
MW304.79 g/mol
LogP2.21
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride

N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride (PubChem CID 119584118) has the molecular formula C14H22ClFN2O2 and a molecular weight of 304.79 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
PubChem CID119584118
Molecular FormulaC14H22ClFN2O2
Molecular Weight304.79 g/mol
Exact Mass304.14
IUPAC NameN-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1ccccc1F.Cl
InChIInChI=1S/C14H21FN2O2.ClH/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15;/h3-4,6-7,11H,5,8-10,16H2,1-2H3;1H
InChIKeyBZKDWMYBNAWZFY-UHFFFAOYSA-N
XLogP2.21
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119581560
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-N-methyl-4-phenylbutanamide
CID 112701398
N-[4-[1-aminopropan-2-yl(methyl)amino]-4-oxobutyl]benzamide;hydrochloride
CID 119585085
4-amino-N-[2-(2-fluorophenoxy)ethyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120587497
N-(1-amino-4-methylpentan-2-yl)-4-(2-fluorophenoxy)butanamide
CID 119587842
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
4-(2-fluorophenoxy)butan-2-one
CID 28948853

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride (CID 119584118) is N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride is CC(CN)N(C)C(=O)CCCOc1ccccc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride?
The InChIKey is BZKDWMYBNAWZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2.ClH/c1-11(10-16)17(2)14(18)8-5-9-19-13-7-4-3-6-12(13)15;/h3-4,6-7,11H,5,8-10,16H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride has a molecular weight of 304.79 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119584118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).