8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine

C13H26F3NO — CID 105174361

IUPAC8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)CC(C)COC
InChIInChI=1S/C13H26F3NO/c1-4-8-17-12(9-11(2)10-18-3)6-5-7-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKBBUABOQHCYROU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine

8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine (PubChem CID 105174361) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine
PubChem CID105174361
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)CC(C)COC
InChIInChI=1S/C13H26F3NO/c1-4-8-17-12(9-11(2)10-18-3)6-5-7-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKBBUABOQHCYROU-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
CID 146228722
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 54962221
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962222
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962223
6-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]heptan-2-amine
CID 54962390
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
4-methyl-N-propan-2-yl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55083489
N-ethyl-4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 55084137

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine (CID 105174361) is 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine is CCCNC(CCCC(F)(F)F)CC(C)COC.
What is the InChIKey of 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine?
The InChIKey is KBBUABOQHCYROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-8-17-12(9-11(2)10-18-3)6-5-7-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine?
8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-1-methoxy-2-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 105174361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).