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

C15H23F2NO — CID 63269936

IUPAC1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C15H23F2NO/c1-5-8-18-14(15(2,3)4)10-19-13-9-11(16)6-7-12(13)17/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyKROIAPVBDFBWDJ-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.76
Rot. Bonds6

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

1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine (PubChem CID 63269936) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
PubChem CID63269936
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine
SMILESCCCNC(COc1cc(F)ccc1F)C(C)(C)C
InChIInChI=1S/C15H23F2NO/c1-5-8-18-14(15(2,3)4)10-19-13-9-11(16)6-7-12(13)17/h6-7,9,14,18H,5,8,10H2,1-4H3
InChIKeyKROIAPVBDFBWDJ-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.76
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-(2,5-difluorophenoxy)-N-propylpropan-2-amine
CID 63269982
1-(2,5-difluorophenoxy)-N-propylbutan-2-amine
CID 63268869
1-(2-fluoro-3-methylphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 107656957
4-(2,5-difluorophenoxy)-3-(propylamino)butan-1-ol
CID 64898653
N-[1-cyclopropyl-2-(2,5-difluorophenoxy)ethyl]propan-1-amine
CID 63906071
1-(5-fluoro-2-methoxyphenyl)-4,4-dimethyl-N-propylpentan-3-amine
CID 82782609
1-(3-ethoxyphenoxy)-3,3-dimethyl-N-propylbutan-2-amine
CID 62335575
1-(4-fluorophenyl)-3,3-dimethyl-N-propylbutan-2-amine
CID 60820444
3,3-dimethyl-1-(4-propan-2-ylphenoxy)-N-propylbutan-2-amine
CID 63475047
4-(2-fluoro-5-methylphenoxy)-3-(propylamino)butan-1-ol
CID 64898881
2-[2-(bromomethyl)-3-methylbutoxy]-1,4-difluorobenzene
CID 65011718

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The IUPAC name of 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine (CID 63269936) is 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine is CCCNC(COc1cc(F)ccc1F)C(C)(C)C.
What is the InChIKey of 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
The InChIKey is KROIAPVBDFBWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-8-18-14(15(2,3)4)10-19-13-9-11(16)6-7-12(13)17/h6-7,9,14,18H,5,8,10H2,1-4H3.
What are the key properties of 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine?
1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine has a molecular weight of 271.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenoxy)-3,3-dimethyl-N-propylbutan-2-amine is sourced from PubChem (CID 63269936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).