1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine

C14H22FNO — CID 105024933

IUPAC1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)C(C)C
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)14(16-4)11-7-6-8-12(17-5)13(11)15/h6-10,14,16H,1-5H3
InChIKeyZOIASXLLTDTKST-UHFFFAOYSA-N
MW239.33 g/mol
LogP3.39
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine

1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine (PubChem CID 105024933) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
PubChem CID105024933
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
SMILESCNC(c1cccc(OC)c1F)C(C)C(C)C
InChIInChI=1S/C14H22FNO/c1-9(2)10(3)14(16-4)11-7-6-8-12(17-5)13(11)15/h6-10,14,16H,1-5H3
InChIKeyZOIASXLLTDTKST-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115792789
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxyphenyl)-N-methylmethanamine
CID 82808523
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-N-methylhexan-1-amine
CID 105024920
1-(2-fluoro-3-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105024978
1-(2-ethoxyphenyl)-N,2,3-trimethylbutan-1-amine
CID 115853624
1-(2-fluoro-3-methoxyphenyl)-N,3,4-trimethylpentan-2-amine
CID 105035513
1-(2-fluoro-3-methoxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105174719
[2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-3-methylbutyl]hydrazine
CID 105272393
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 82807584
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
[3,3,3-trifluoro-1-(2-fluoro-3-methoxyphenyl)-2-(trifluoromethyl)propyl]hydrazine
CID 103312886
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(2-methylsulfanylphenyl)methanamine
CID 105025159

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine (CID 105024933) is 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine is CNC(c1cccc(OC)c1F)C(C)C(C)C.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
The InChIKey is ZOIASXLLTDTKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9(2)10(3)14(16-4)11-7-6-8-12(17-5)13(11)15/h6-10,14,16H,1-5H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine?
1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine has a molecular weight of 239.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-N,2,3-trimethylbutan-1-amine is sourced from PubChem (CID 105024933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).