1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine

C15H24FN — CID 106877607

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1c(C)cc(F)cc1C)C(C)C(C)C
InChIInChI=1S/C15H24FN/c1-9(2)12(5)15(17-6)14-10(3)7-13(16)8-11(14)4/h7-9,12,15,17H,1-6H3
InChIKeyANNGTIHLVRWADI-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine

1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 106877607) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID106877607
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1c(C)cc(F)cc1C)C(C)C(C)C
InChIInChI=1S/C15H24FN/c1-9(2)12(5)15(17-6)14-10(3)7-13(16)8-11(14)4/h7-9,12,15,17H,1-6H3
InChIKeyANNGTIHLVRWADI-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-3-methylphenyl)-N,2,3-trimethylbutan-1-amine
CID 79746964
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
1-N-methyl-1-(2,4,6-trimethylphenyl)propane-1,2-diamine
CID 116948064
3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877928
2-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-N-propylbutan-1-amine
CID 106878938
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877960
N,2,3-trimethyl-1-(5-methyl-3-pyridinyl)butan-1-amine
CID 105022959
1-(2-bromo-4-fluorophenyl)-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877923
2-(1-bromo-2,2-difluoroethyl)-5-fluoro-1,3-dimethylbenzene
CID 106880010
N-methyl-2-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 104518481

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine (CID 106877607) is 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine is CNC(c1c(C)cc(F)cc1C)C(C)C(C)C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is ANNGTIHLVRWADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-9(2)12(5)15(17-6)14-10(3)7-13(16)8-11(14)4/h7-9,12,15,17H,1-6H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine?
1-(4-fluoro-2,6-dimethylphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.00, 4 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)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 106877607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).