1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine

C15H24FN — CID 65299488

IUPAC1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-10-7-12(8-11(2)14(10)16)13(17-6)9-15(3,4)5/h7-8,13,17H,9H2,1-6H3
InChIKeyASZQZCAZBGACNS-UHFFFAOYSA-N
MW237.36 g/mol
LogP4.14
Rot. Bonds3

About 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine

1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine (PubChem CID 65299488) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
PubChem CID65299488
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Name1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
SMILESCNC(CC(C)(C)C)c1cc(C)c(F)c(C)c1
InChIInChI=1S/C15H24FN/c1-10-7-12(8-11(2)14(10)16)13(17-6)9-15(3,4)5/h7-8,13,17H,9H2,1-6H3
InChIKeyASZQZCAZBGACNS-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299193
1-(4-fluoro-3,5-dimethylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 65299631
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
1-(3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine
CID 63890228
1-(4-fluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43481297
1-(4-fluoro-3,5-dimethylphenyl)-N-methyldecan-1-amine
CID 65448790
1-(4-fluoro-3-methylphenyl)-N,3,5,5-tetramethylhexan-1-amine
CID 79746883
2-(2,5-dimethylphenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65298907
2,2,2-trifluoro-1-(4-fluoro-3,5-dimethylphenyl)-N-methylethanamine
CID 65299585
1-(2-fluoro-4,5-dimethoxyphenyl)-N,3,3-trimethylbutan-1-amine
CID 55125060
1-(4-fluoro-3,5-dimethylphenyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 65298959
1-(2,4-difluorophenyl)-N,3,3-trimethylbutan-1-amine
CID 43484135

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The IUPAC name of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine (CID 65299488) is 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine is CNC(CC(C)(C)C)c1cc(C)c(F)c(C)c1.
What is the InChIKey of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
The InChIKey is ASZQZCAZBGACNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN/c1-10-7-12(8-11(2)14(10)16)13(17-6)9-15(3,4)5/h7-8,13,17H,9H2,1-6H3.
What are the key properties of 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine?
1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine has a molecular weight of 237.36 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3,5-dimethylphenyl)-N,3,3-trimethylbutan-1-amine is sourced from PubChem (CID 65299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).