1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine

C13H20FN — CID 106877205

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FN/c1-5-8(2)13(15)12-9(3)6-11(14)7-10(12)4/h6-8,13H,5,15H2,1-4H3
InChIKeySMERNDIDEYAQDJ-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.49
Rot. Bonds3

About 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine

1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine (PubChem CID 106877205) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
PubChem CID106877205
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1c(C)cc(F)cc1C
InChIInChI=1S/C13H20FN/c1-5-8(2)13(15)12-9(3)6-11(14)7-10(12)4/h6-8,13H,5,15H2,1-4H3
InChIKeySMERNDIDEYAQDJ-UHFFFAOYSA-N
XLogP3.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
CID 106877255
(1S)-2-methyl-1-(2,3,5,6-tetrafluorophenyl)butan-1-amine;hydrochloride
CID 171230095
(1S,2R)-1-amino-3-methyl-1-(2,4,6-trimethylphenyl)pentan-2-ol;hydrochloride
CID 171268351
1-(3-bromo-5-fluorophenyl)-2-methylbutan-1-amine
CID 79446725
1-(4-fluoro-3-methylphenyl)-2-methylbutan-1-amine
CID 63716843
2-methyl-1-(2,4,5-trimethylphenyl)butan-1-amine
CID 64989658
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
CID 106880010
(1R)-2-methyl-1-(2,4,6-trimethoxyphenyl)butan-1-amine;hydrochloride
CID 171201061
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
ethyl 4-(4-fluoro-2,6-dimethylphenyl)-3,4-dihydroxybutanoate
CID 171897215
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine (CID 106877205) is 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine is CCC(C)C(N)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine?
The InChIKey is SMERNDIDEYAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-5-8(2)13(15)12-9(3)6-11(14)7-10(12)4/h6-8,13H,5,15H2,1-4H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine?
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine is sourced from PubChem (CID 106877205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).