1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine

C13H19F2N — CID 43484135

IUPAC1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-13(2,3)8-12(16-4)10-6-5-9(14)7-11(10)15/h5-7,12,16H,8H2,1-4H3
InChIKeyROTKIFYRBWZURU-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.66
Rot. Bonds3

About 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine

1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 43484135) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID43484135
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H19F2N/c1-13(2,3)8-12(16-4)10-6-5-9(14)7-11(10)15/h5-7,12,16H,8H2,1-4H3
InChIKeyROTKIFYRBWZURU-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587
1-(2,4-difluorophenyl)-N-methylpentan-1-amine
CID 43484085
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
1-(2,4-difluorophenyl)-N,3-dimethylpentan-1-amine
CID 63084219
1-(2,4-difluorophenyl)-N-methyl-2-methylsulfonylethanamine
CID 62802366
1-(2,4-difluorophenyl)-N,3-dimethylbutane-1,4-diamine
CID 116949729
1-(2,4-difluorophenyl)-N-methyl-2-(2,4,6-trimethylphenyl)ethanamine
CID 63417959
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
1-(2,4-difluorophenyl)-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105143608
1-(2,4-difluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 62538013
2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)-N-methylethanamine
CID 63084053

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine (CID 43484135) is 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is ROTKIFYRBWZURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-13(2,3)8-12(16-4)10-6-5-9(14)7-11(10)15/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine?
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 43484135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).