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

C14H22FNO — CID 106881987

IUPAC1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H22FNO/c1-6-12(17-5)14(16-4)13-10(3)7-9(2)8-11(13)15/h7-8,12,14,16H,6H2,1-5H3
InChIKeyJTIYDPMMVBMYFR-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.13
Rot. Bonds5

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

1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine (PubChem CID 106881987) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
PubChem CID106881987
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine
SMILESCCC(OC)C(NC)c1c(C)cc(C)cc1F
InChIInChI=1S/C14H22FNO/c1-6-12(17-5)14(16-4)13-10(3)7-9(2)8-11(13)15/h7-8,12,14,16H,6H2,1-5H3
InChIKeyJTIYDPMMVBMYFR-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-N-methylbutan-1-amine
CID 106680928
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715348
[1-(2-fluoro-4,6-dimethylphenyl)-2-methylbutyl]hydrazine
CID 106884293
[1-(2-fluoro-4,6-dimethylphenyl)-2-phenylbutyl]hydrazine
CID 106884498
2-ethoxy-1-(2-fluoro-4,6-dimethylphenyl)-N-propylpentan-1-amine
CID 106881995
2-butan-2-ylsulfanyl-1-(2-fluoro-4,6-dimethylphenyl)-N-methylethanamine
CID 106881599
1-(3,5-dimethylphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883501
[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
CID 105270622
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(4-ethoxyphenyl)-1-(2-fluoro-4,6-dimethylphenyl)-N-methylmethanamine
CID 106883546
N,2-diethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutan-1-amine
CID 106882034
[2-ethyl-1-(2-fluoro-4,6-dimethylphenyl)-2-methoxybutyl]hydrazine
CID 106884445

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine (CID 106881987) is 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine is CCC(OC)C(NC)c1c(C)cc(C)cc1F.
What is the InChIKey of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine?
The InChIKey is JTIYDPMMVBMYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-6-12(17-5)14(16-4)13-10(3)7-9(2)8-11(13)15/h7-8,12,14,16H,6H2,1-5H3.
What are the key properties of 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine?
1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4,6-dimethylphenyl)-2-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 106881987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).