1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

C16H26FNO — CID 102981095

IUPAC1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(16(3,4)5)11-19-14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeySJVHWZTWOXYEOW-UHFFFAOYSA-N
MW267.39 g/mol
LogP3.93
Rot. Bonds6

About 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine

1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 102981095) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID102981095
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cc(F)ccc1C)C(C)(C)C
InChIInChI=1S/C16H26FNO/c1-6-9-18-15(16(3,4)5)11-19-14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3
InChIKeySJVHWZTWOXYEOW-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-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 63269936
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
1-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
3-(5-fluoro-2-methylphenoxy)-2-methyl-N-propan-2-ylpropan-1-amine
CID 102990248
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
methyl 4-(5-fluoro-2-methylphenoxy)-2-(propylamino)butanoate
CID 102983852
1-(5-fluoro-2-methylphenoxy)-3-(methylamino)propan-2-ol
CID 84746272
6-(5-fluoro-2-methylphenoxy)-N-propylhexan-1-amine
CID 102986433
3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine (CID 102981095) is 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(COc1cc(F)ccc1C)C(C)(C)C.
What is the InChIKey of 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is SJVHWZTWOXYEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNO/c1-6-9-18-15(16(3,4)5)11-19-14-10-13(17)8-7-12(14)2/h7-8,10,15,18H,6,9,11H2,1-5H3.
What are the key properties of 1-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
1-(5-fluoro-2-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-(5-fluoro-2-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 102981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).