2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C12H24F3NO2 — CID 55111205

IUPAC2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyRDHJRXAMAHFIPA-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.61
Rot. Bonds10

About 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 55111205) has the molecular formula C12H24F3NO2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID55111205
Molecular FormulaC12H24F3NO2
Molecular Weight271.32 g/mol
Exact Mass271.18
IUPAC Name2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(C)(CCOCC(F)(F)F)CNCCOC
InChIInChI=1S/C12H24F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3
InChIKeyRDHJRXAMAHFIPA-UHFFFAOYSA-N
XLogP2.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-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

2-ethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55083017
3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
CID 55092871
2,2-diethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55106897
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentyl]methyl]ethanamine
CID 55106985
N-(2-methoxyethyl)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55111767
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 60732572
4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 61814149
N,2-diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62529356
2-ethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62530971
N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62550263
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62567449
4-ethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 62567451

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 55111205) is 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(C)(CCOCC(F)(F)F)CNCCOC.
What is the InChIKey of 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is RDHJRXAMAHFIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO2/c1-4-11(2,9-16-6-8-17-3)5-7-18-10-12(13,14)15/h16H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 271.32 g/mol, XLogP of 2.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 55111205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).