2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine

C19H29F2N3O — CID 166836172

IUPAC2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine
SMILESCCCCCC(C)n1nc(C)c2cc(OCC(F)(F)CNC)ccc21
InChIInChI=1S/C19H29F2N3O/c1-5-6-7-8-14(2)24-18-10-9-16(11-17(18)15(3)23-24)25-13-19(20,21)12-22-4/h9-11,14,22H,5-8,12-13H2,1-4H3
InChIKeyAPLCLAGSDQHPAZ-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.72
Rot. Bonds10

About 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine

2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine (PubChem CID 166836172) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine
PubChem CID166836172
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine
SMILESCCCCCC(C)n1nc(C)c2cc(OCC(F)(F)CNC)ccc21
InChIInChI=1S/C19H29F2N3O/c1-5-6-7-8-14(2)24-18-10-9-16(11-17(18)15(3)23-24)25-13-19(20,21)12-22-4/h9-11,14,22H,5-8,12-13H2,1-4H3
InChIKeyAPLCLAGSDQHPAZ-UHFFFAOYSA-N
XLogP4.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dimethylphenoxy)-N,2-dimethylpropan-2-amine
CID 82126575
2-octan-2-ylpyrazol-3-amine
CID 43130133
N-methyl-3-[9-methyl-6-[3-(methylamino)propoxy]carbazol-3-yl]oxypropan-1-amine
CID 57439519
tert-butyl 3-methyl-5-(3-oxopropoxy)indazole-1-carboxylate
CID 174934572
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
9-[4-(2-butyloctoxy)phenyl]-3,6-difluorocarbazole
CID 102281660
2-ethyl-N-methyl-6-(2,2,2-trifluoroethoxy)quinolin-4-amine
CID 62203229
3,6-dimethyl-9-(4-pentoxyphenyl)carbazole
CID 59683855
N-methyl-1-octan-2-ylimidazol-2-amine
CID 106564926
2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
2,8-dipentoxydibenzothiophene
CID 141427401
10-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]icosan-7-amine
CID 157054274

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine (CID 166836172) is 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine is CCCCCC(C)n1nc(C)c2cc(OCC(F)(F)CNC)ccc21.
What is the InChIKey of 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine?
The InChIKey is APLCLAGSDQHPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-5-6-7-8-14(2)24-18-10-9-16(11-17(18)15(3)23-24)25-13-19(20,21)12-22-4/h9-11,14,22H,5-8,12-13H2,1-4H3.
What are the key properties of 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine?
2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine has a molecular weight of 353.46 g/mol, XLogP of 4.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine is sourced from PubChem (CID 166836172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).