4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

C11H22F3NO — CID 103214518

IUPAC4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC(C)C
InChIInChI=1S/C11H22F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyBEFCLQLEBFGXQH-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

About 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine

4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 103214518) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID103214518
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESCCCNC(COCC(F)(F)F)CC(C)C
InChIInChI=1S/C11H22F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyBEFCLQLEBFGXQH-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-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

3-(2-Methylpropyl)morpholine
CID 20811826
(3S)-3-(2-methylpropyl)morpholine
CID 28064342
(4S)-4-isobutyl-2-(pentafluoroethyl)-1,3-oxazolidine
CID 11413942
Oxazolidine, 4-(2-methylpropyl)-2-(trifluoromethyl)-, (4S)-
CID 11481019
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68906346
(S)-4-isobutyl-2-trifluoromethyl-oxazolidine
CID 68906347
N-tert-butyl-2-(4,4-difluoro-5-methylhexoxy)-2-methylpropan-1-amine
CID 88973546
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
molecular hydrogen;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 158718751
methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 159903328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 103214518) is 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is CCCNC(COCC(F)(F)F)CC(C)C.
What is the InChIKey of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is BEFCLQLEBFGXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-5-15-10(6-9(2)3)7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine?
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 103214518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).