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

C14H21ClF2N2O2 — CID 119581560

IUPACN-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-10(9-17)18(2)14(19)4-3-7-20-13-6-5-11(15)8-12(13)16;/h5-6,8,10H,3-4,7,9,17H2,1-2H3;1H
InChIKeyGPMLSRISYDCQEO-UHFFFAOYSA-N
MW322.78 g/mol
LogP2.35
Rot. Bonds7

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

N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride (PubChem CID 119581560) has the molecular formula C14H21ClF2N2O2 and a molecular weight of 322.78 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
PubChem CID119581560
Molecular FormulaC14H21ClF2N2O2
Molecular Weight322.78 g/mol
Exact Mass322.13
IUPAC NameN-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1ccc(F)cc1F.Cl
InChIInChI=1S/C14H20F2N2O2.ClH/c1-10(9-17)18(2)14(19)4-3-7-20-13-6-5-11(15)8-12(13)16;/h5-6,8,10H,3-4,7,9,17H2,1-2H3;1H
InChIKeyGPMLSRISYDCQEO-UHFFFAOYSA-N
XLogP2.35
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.78
LogP ≤ 52.35
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-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
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-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
2-[4-(2,4-difluorophenoxy)butanoyl-methylamino]acetic acid
CID 119172006
N-(1-aminopropan-2-yl)-3-(2,5-difluorophenyl)-N-methylpropanamide;hydrochloride
CID 119584126
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(2,4-difluorophenoxy)butanamide;hydrochloride
CID 119605711
4-(2,4-difluorophenoxy)butan-1-amine;hydrochloride
CID 86262593
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride (CID 119581560) is N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride is CC(CN)N(C)C(=O)CCCOc1ccc(F)cc1F.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride?
The InChIKey is GPMLSRISYDCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2.ClH/c1-10(9-17)18(2)14(19)4-3-7-20-13-6-5-11(15)8-12(13)16;/h5-6,8,10H,3-4,7,9,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride has a molecular weight of 322.78 g/mol, XLogP of 2.35, 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-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119581560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).