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

C14H22FN — CID 106877255

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FN/c1-5-9(2)6-13(16)14-10(3)7-12(15)8-11(14)4/h7-9,13H,5-6,16H2,1-4H3
InChIKeyMITKJHIWVMCZTM-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.88
Rot. Bonds4

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

1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine (PubChem CID 106877255) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
PubChem CID106877255
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine
SMILESCCC(C)CC(N)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H22FN/c1-5-9(2)6-13(16)14-10(3)7-12(15)8-11(14)4/h7-9,13H,5-6,16H2,1-4H3
InChIKeyMITKJHIWVMCZTM-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
1-(4-fluoro-2-methylphenyl)-4-methylhexan-2-amine
CID 105051172
2-(1-chloro-4-methylpentyl)-5-fluoro-1,3-dimethylbenzene
CID 106879819
(1S)-3-methyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 28501623
2-(4-bromophenyl)-1-(4-fluoro-2,6-dimethylphenyl)ethanamine
CID 106877345
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877539
4-amino-4-(4-fluoro-2,6-dimethylphenyl)-2,2-dimethylbutanoic acid
CID 106879109
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
(1R)-1-(2,4,6-trifluorophenyl)propan-1-amine;hydrochloride
CID 171204882
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
1-(4-fluoro-2,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanamine
CID 106877505
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine (CID 106877255) is 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine is CCC(C)CC(N)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine?
The InChIKey is MITKJHIWVMCZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-5-9(2)6-13(16)14-10(3)7-12(15)8-11(14)4/h7-9,13H,5-6,16H2,1-4H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine?
1-(4-fluoro-2,6-dimethylphenyl)-3-methylpentan-1-amine has a molecular weight of 223.33 g/mol, XLogP of 3.88, 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)-3-methylpentan-1-amine is sourced from PubChem (CID 106877255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).