1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

C16H26FNO — CID 107656957

IUPAC1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cccc(C)c1F)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-10-18-14(16(3,4)5)11-19-13-9-7-8-12(2)15(13)17/h7-9,14,18H,6,10-11H2,1-5H3
InChIKeyCFLMZOGKHLTTAB-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds6

About 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 107656957) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID107656957
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cccc(C)c1F)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-10-18-14(16(3,4)5)11-19-13-9-7-8-12(2)15(13)17/h7-9,14,18H,6,10-11H2,1-5H3
InChIKeyCFLMZOGKHLTTAB-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 102981095
1-(2-fluoro-3-methylphenoxy)-N-propylpentan-2-amine
CID 107656960
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047
N-[2-(2-fluoro-3-methylphenoxy)-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 107657188
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-(4-butan-2-ylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107664180
1-(2-fluoro-3-methylphenoxy)-3-methoxy-3-methylbutan-2-ol
CID 114228818
1-(2-fluoro-3-methylphenoxy)-3-methylpentan-2-ol
CID 107660344
methyl 3-(2-fluoro-3-methylphenoxy)-2-methyl-2-(propylamino)propanoate
CID 107660489

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (CID 107656957) is 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(COc1cccc(C)c1F)C(C)(C)C.
What is the InChIKey of 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is CFLMZOGKHLTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-10-18-14(16(3,4)5)11-19-13-9-7-8-12(2)15(13)17/h7-9,14,18H,6,10-11H2,1-5H3.
What are the key properties of 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 267.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 107656957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).