N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine

C13H21F2NSi — CID 150488514

IUPACN-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine
SMILESCCC(C)(NCc1ccc(F)cc1F)[SiH](C)C
InChIInChI=1S/C13H21F2NSi/c1-5-13(2,17(3)4)16-9-10-6-7-11(14)8-12(10)15/h6-8,16-17H,5,9H2,1-4H3
InChIKeyHVHKAIHGDZBNIM-UHFFFAOYSA-N
MW257.40 g/mol
LogP3.25
Rot. Bonds5

About N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine

N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine (PubChem CID 150488514) has the molecular formula C13H21F2NSi and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine
PubChem CID150488514
Molecular FormulaC13H21F2NSi
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine
SMILESCCC(C)(NCc1ccc(F)cc1F)[SiH](C)C
InChIInChI=1S/C13H21F2NSi/c1-5-13(2,17(3)4)16-9-10-6-7-11(14)8-12(10)15/h6-8,16-17H,5,9H2,1-4H3
InChIKeyHVHKAIHGDZBNIM-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N-[(4-chloro-2-fluorophenyl)methyl]-3-methylpentan-3-amine
CID 106167289
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
N-[(2,4-difluorophenyl)methyl]-2,2-dimethylundecanamide
CID 57218649
CID 58696093
CID 58696093
N-[(2,4-difluorophenyl)methyl]butan-2-amine
CID 43177291
3-[(4-bromo-2-fluorophenyl)methylamino]-3-methylpentan-1-ol
CID 103768781
3-(tert-butylamino)-4-[(2,4-difluorophenyl)methylamino]cyclobut-3-ene-1,2-dione
CID 10541804
N-[(2-bromo-4-fluorophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867058
1-chloro-N-[(4-fluoro-2-methylphenyl)methyl]-2-methylpropan-2-amine
CID 114349105
N-[(2,4-difluorophenyl)methyl]pentan-2-amine
CID 43177713
N-[(2-chloro-4-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 28586559
N-[(2,4-difluorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55118690

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine (CID 150488514) is N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine is CCC(C)(NCc1ccc(F)cc1F)[SiH](C)C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine?
The InChIKey is HVHKAIHGDZBNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NSi/c1-5-13(2,17(3)4)16-9-10-6-7-11(14)8-12(10)15/h6-8,16-17H,5,9H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine?
N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine has a molecular weight of 257.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-2-dimethylsilylbutan-2-amine is sourced from PubChem (CID 150488514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).