4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline

C13H20F2N2 — CID 63060715

IUPAC4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cc(CNC(C)(C)C)cc1F
InChIInChI=1S/C13H20F2N2/c1-13(2,3)16-8-9-6-10(14)12(17(4)5)11(15)7-9/h6-7,16H,8H2,1-5H3
InChIKeyUKJTVSNTYUSQNU-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.92
Rot. Bonds3

About 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline

4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline (PubChem CID 63060715) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
PubChem CID63060715
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
SMILESCN(C)c1c(F)cc(CNC(C)(C)C)cc1F
InChIInChI=1S/C13H20F2N2/c1-13(2,3)16-8-9-6-10(14)12(17(4)5)11(15)7-9/h6-7,16H,8H2,1-5H3
InChIKeyUKJTVSNTYUSQNU-UHFFFAOYSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[(3,4,5-trifluorophenyl)methyl]propan-2-amine
CID 63051342
4-[(tert-butylamino)methyl]-N,N-diethyl-2,6-difluoroaniline
CID 63060506
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutan-2-yl)aniline
CID 63551898
4-[(tert-butylamino)methyl]-2,6-difluoro-N-methyl-N-(3-methylbutyl)aniline
CID 63551167
4-[(cyclopropylamino)methyl]-2,6-difluoro-N,N-dimethylaniline
CID 63051609
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700770
4-[(tert-butylamino)methyl]-2-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 63058994
2-[4-[(tert-butylamino)methyl]-2,6-difluorophenyl]sulfanylethanol
CID 55238305
N-[(3,5-difluoro-4-hexoxyphenyl)methyl]-2-methylpropan-2-amine
CID 79883668
N-butyl-4-[(tert-butylamino)methyl]-2-fluoro-N-methylaniline
CID 63061057
N'-[4-[(tert-butylamino)methyl]-2-fluorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63699739
N-[[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]methyl]-2-methylpropan-2-amine
CID 79892271

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline (CID 63060715) is 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline is CN(C)c1c(F)cc(CNC(C)(C)C)cc1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
The InChIKey is UKJTVSNTYUSQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-13(2,3)16-8-9-6-10(14)12(17(4)5)11(15)7-9/h6-7,16H,8H2,1-5H3.
What are the key properties of 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline?
4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline has a molecular weight of 242.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-2,6-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 63060715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).