N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine

C12H15F4NO — CID 103289199

IUPACN-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
SMILESCC(C)NCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-7(2)17-4-3-5-18-12-10(15)8(13)6-9(14)11(12)16/h6-7,17H,3-5H2,1-2H3
InChIKeyGZWKVTOFSHMCGR-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.01
Rot. Bonds6

About N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine

N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine (PubChem CID 103289199) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
PubChem CID103289199
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC NameN-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine
SMILESCC(C)NCCCOc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H15F4NO/c1-7(2)17-4-3-5-18-12-10(15)8(13)6-9(14)11(12)16/h6-7,17H,3-5H2,1-2H3
InChIKeyGZWKVTOFSHMCGR-UHFFFAOYSA-N
XLogP3.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]butan-2-amine
CID 103290342
N-methyl-4-(2,3,5,6-tetrafluorophenoxy)butan-1-amine
CID 103290253
2-methoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]ethanamine
CID 103290282
3-butoxy-1,2,4,5-tetrafluorobenzene
CID 22416140
3-ethoxy-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]propan-1-amine
CID 103290316
4-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]aniline
CID 103290318
1,2,4,5-tetrafluoro-3-(2-methylpropoxy)benzene
CID 58298374
3-[4-fluoro-3-(trifluoromethyl)phenoxy]-N-propan-2-ylpropan-1-amine
CID 102747179
N-propan-2-yl-4-(2,4,6-trichlorophenoxy)butan-1-amine
CID 62572065
3-fluoro-4-[3-(propan-2-ylamino)propoxy]benzonitrile
CID 62348292
3-methyl-N-[2-(2,3,5,6-tetrafluorophenoxy)ethyl]cyclohexan-1-amine
CID 103290276
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine?
The IUPAC name of N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine (CID 103289199) is N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine is CC(C)NCCCOc1c(F)c(F)cc(F)c1F.
What is the InChIKey of N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine?
The InChIKey is GZWKVTOFSHMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-7(2)17-4-3-5-18-12-10(15)8(13)6-9(14)11(12)16/h6-7,17H,3-5H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine?
N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine has a molecular weight of 265.25 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(2,3,5,6-tetrafluorophenoxy)propan-1-amine is sourced from PubChem (CID 103289199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).