1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine

C13H19F2N — CID 115859728

IUPAC1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-5-13(2,3)12(16-4)11-9(14)7-6-8-10(11)15/h6-8,12,16H,5H2,1-4H3
InChIKeyNHRSEUCTWIDORK-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine

1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine (PubChem CID 115859728) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
PubChem CID115859728
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
SMILESCCC(C)(C)C(NC)c1c(F)cccc1F
InChIInChI=1S/C13H19F2N/c1-5-13(2,3)12(16-4)11-9(14)7-6-8-10(11)15/h6-8,12,16H,5H2,1-4H3
InChIKeyNHRSEUCTWIDORK-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,2,2-trimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 115853824
1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine
CID 80605356
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
1-(2-fluoro-4,5-dimethoxyphenyl)-N,2,2-trimethylbutan-1-amine
CID 62866754
N,2,2-trimethyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine
CID 62679934
N,2,2-trimethyl-1-[4-(2-methylbutan-2-yl)phenyl]butan-1-amine
CID 66259751
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
1-(2,4-dimethylphenyl)-N,2,2-trimethylbutan-1-amine
CID 62679741
3-(2,6-difluorophenyl)-N-methylbutan-2-amine
CID 66437420
1-(2,6-difluorophenyl)-N-ethyl-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 79052030
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine (CID 115859728) is 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine is CCC(C)(C)C(NC)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine?
The InChIKey is NHRSEUCTWIDORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-5-13(2,3)12(16-4)11-9(14)7-6-8-10(11)15/h6-8,12,16H,5H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine?
1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine is sourced from PubChem (CID 115859728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).