4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

C10H20F3NO — CID 62914540

IUPAC4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCC(C)C(CCOCC(F)(F)F)C(C)N
InChIInChI=1S/C10H20F3NO/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyWEOFIKQRIPNAFJ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.57
Rot. Bonds6

About 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine

4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (PubChem CID 62914540) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
PubChem CID62914540
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
SMILESCC(C)C(CCOCC(F)(F)F)C(C)N
InChIInChI=1S/C10H20F3NO/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3
InChIKeyWEOFIKQRIPNAFJ-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]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

5-(2-Fluoroethoxy)-3,4-dimethylpentan-2-amine
CID 88916468
Ethane;2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 153576800
1-(Difluoromethoxy)-4-fluoro-4,5-dimethylhexan-3-amine
CID 170585146
(2S)-1-(1,1-difluoroethoxy)-3,3-difluoro-4-methylpentan-2-amine
CID 177282034
N-tert-butyl-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55083202
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
3-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490660
N,3-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490862
N-ethyl-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490863
3-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490864
3-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490865
3-ethyl-N-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 61490902

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The IUPAC name of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine (CID 62914540) is 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The canonical SMILES for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is CC(C)C(CCOCC(F)(F)F)C(C)N.
What is the InChIKey of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
The InChIKey is WEOFIKQRIPNAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-7(2)9(8(3)14)4-5-15-6-10(11,12)13/h7-9H,4-6,14H2,1-3H3.
What are the key properties of 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine?
4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine has a molecular weight of 227.27 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine is sourced from PubChem (CID 62914540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).