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

C12H18FN — CID 106877539

IUPAC1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H18FN/c1-5-11(14-4)12-8(2)6-10(13)7-9(12)3/h6-7,11,14H,5H2,1-4H3
InChIKeyYISSWKBLMZEJPN-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.11
Rot. Bonds3

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

1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine (PubChem CID 106877539) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
PubChem CID106877539
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(C)cc(F)cc1C
InChIInChI=1S/C12H18FN/c1-5-11(14-4)12-8(2)6-10(13)7-9(12)3/h6-7,11,14H,5H2,1-4H3
InChIKeyYISSWKBLMZEJPN-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,3-trifluoro-1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 106877928
(1R)-1-(2,6-dimethylphenyl)-N-methylpropan-1-amine
CID 70333956
1-(4-fluoro-2,6-dimethylphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 106877909
1-(4-fluoro-3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 65299194
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)pentan-1-amine
CID 106878041
1-cyclopropyl-1-(4-fluoro-2,6-dimethylphenyl)-N-methylmethanamine
CID 106877639
1-(4-fluoro-2,6-dimethylphenyl)-N-methyl-3-(oxan-2-yl)propan-1-amine
CID 106877800
1-(4-fluoro-3-methylphenyl)-N-methylpropan-1-amine
CID 60929376
N-ethyl-1-(4-fluoro-2,6-dimethylphenyl)-2-methylsulfonylethanamine
CID 106878162
3-ethyl-1-(4-fluoro-2-methylphenyl)-N-methylpentan-1-amine
CID 82923277
1-(4-fluoro-2,6-dimethylphenyl)-2-methylbutan-1-amine
CID 106877205
1-(3,5-difluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 82922686

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine (CID 106877539) is 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine is CCC(NC)c1c(C)cc(F)cc1C.
What is the InChIKey of 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
The InChIKey is YISSWKBLMZEJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-5-11(14-4)12-8(2)6-10(13)7-9(12)3/h6-7,11,14H,5H2,1-4H3.
What are the key properties of 1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine?
1-(4-fluoro-2,6-dimethylphenyl)-N-methylpropan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 3.11, 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)-N-methylpropan-1-amine is sourced from PubChem (CID 106877539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).