1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine

C13H26F3NO — CID 103031726

IUPAC1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C13H26F3NO/c1-5-10-17-11(7-9-13(14,15)16)6-8-12(2,3)18-4/h11,17H,5-10H2,1-4H3
InChIKeyHPCYGPPEWXKRRW-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.90
Rot. Bonds9

About 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine

1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine (PubChem CID 103031726) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine
PubChem CID103031726
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C13H26F3NO/c1-5-10-17-11(7-9-13(14,15)16)6-8-12(2,3)18-4/h11,17H,5-10H2,1-4H3
InChIKeyHPCYGPPEWXKRRW-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-2-amine
CID 55036583
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexyl]methyl]propan-2-amine
CID 55106739
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64124357
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 64125774
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915
N,2,2-trimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496974
1-cyclopropyl-N-ethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64497185

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine?
The IUPAC name of 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine (CID 103031726) is 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine is CCCNC(CCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine?
The InChIKey is HPCYGPPEWXKRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-10-17-11(7-9-13(14,15)16)6-8-12(2,3)18-4/h11,17H,5-10H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine?
1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-7-methoxy-7-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 103031726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).