2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline

C12H18F2N2 — CID 117112029

IUPAC2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)c(F)cc1CC(C)(C)N
InChIInChI=1S/C12H18F2N2/c1-12(2,15)7-8-5-9(13)10(14)6-11(8)16(3)4/h5-6H,7,15H2,1-4H3
InChIKeyQHUMEJQUSUWDHA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline

2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline (PubChem CID 117112029) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
PubChem CID117112029
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline
SMILESCN(C)c1cc(F)c(F)cc1CC(C)(C)N
InChIInChI=1S/C12H18F2N2/c1-12(2,15)7-8-5-9(13)10(14)6-11(8)16(3)4/h5-6H,7,15H2,1-4H3
InChIKeyQHUMEJQUSUWDHA-UHFFFAOYSA-N
XLogP2.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[[2-(dimethylamino)-4,5-difluorophenyl]methyl]hydroxylamine
CID 117111216
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
2-(2-amino-2-methylpropyl)-4-fluoro-5-methylphenol
CID 117287292
1-(2,5-difluoro-4-methoxyphenyl)-2-methylpropan-2-amine
CID 82648003
2-methyl-1-(2,3,5-trifluorophenyl)propan-2-amine
CID 117112050
2-(2-amino-2-methylpropyl)-4-[(dimethylamino)methyl]-6-fluorophenol
CID 117353759
1-(2,5-difluoro-4-methylsulfonylphenyl)-2-methylpropan-2-amine
CID 117412591
2-[2-(dimethylamino)-4,5-difluorophenyl]-2-methylpropan-1-ol
CID 117113721
6-(2-amino-2-methylpropyl)-2-bromo-3,4-difluorophenol
CID 84811709
1-(5-bromo-2-fluorophenyl)-2-methylpropan-2-amine
CID 62622009
1-(2-chloro-3,5-difluorophenyl)-2-methylpropan-2-amine
CID 117313615
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline?
The IUPAC name of 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline (CID 117112029) is 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline.
What is the SMILES notation for 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline?
The canonical SMILES for 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline is CN(C)c1cc(F)c(F)cc1CC(C)(C)N.
What is the InChIKey of 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline?
The InChIKey is QHUMEJQUSUWDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-12(2,15)7-8-5-9(13)10(14)6-11(8)16(3)4/h5-6H,7,15H2,1-4H3.
What are the key properties of 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline?
2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline has a molecular weight of 228.29 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-methylpropyl)-4,5-difluoro-N,N-dimethylaniline is sourced from PubChem (CID 117112029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).