1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine

C13H20FN — CID 43481297

IUPAC1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-12(15-4)10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3
InChIKeyWCIDURSYFKDQRT-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.52
Rot. Bonds3

About 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine

1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 43481297) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID43481297
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H20FN/c1-13(2,3)9-12(15-4)10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3
InChIKeyWCIDURSYFKDQRT-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3,3-trimethyl-1-(4-propylphenyl)butan-1-amine
CID 43484923
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135
1-(4-fluorophenyl)-N-methylbutan-1-amine
CID 16644602
1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 65299488
1-(4,4-dimethylpentan-2-yl)-4-fluorobenzene
CID 157107563
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119724736
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]benzamide
CID 166453469
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
2-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 138627524
1-(4-fluorophenyl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105088240
1-(2-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 63892587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine (CID 43481297) is 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is WCIDURSYFKDQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-13(2,3)9-12(15-4)10-5-7-11(14)8-6-10/h5-8,12,15H,9H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine?
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 43481297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).