N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

C11H20F3NO2 — CID 114112890

IUPACN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCC1(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-16-6-4-10(2-3-10)8-15-5-7-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyBCRNWIJAVTWBOW-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.97
Rot. Bonds9

About N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine

N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 114112890) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID114112890
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC NameN-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCC1(CNCCOCC(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c1-16-6-4-10(2-3-10)8-15-5-7-17-9-11(12,13)14/h15H,2-9H2,1H3
InChIKeyBCRNWIJAVTWBOW-UHFFFAOYSA-N
XLogP1.97
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine 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

2,2-diethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55106897
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
N-(2-methoxyethyl)-3-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 55111767
N-tert-butyl-2-ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62717670
N-[2-ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
CID 62717829
2-ethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62718823
2-ethyl-2-methyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62719342
2-methoxy-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62720307
N-[2,2-diethyl-4-(2,2,2-trifluoroethoxy)butyl]cyclopropanamine
CID 62723269
N-(2-methoxyethyl)-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723554
N,2,2-triethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723648
2-ethyl-2-methyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723876

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine (CID 114112890) is N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is COCCC1(CNCCOCC(F)(F)F)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is BCRNWIJAVTWBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-16-6-4-10(2-3-10)8-15-5-7-17-9-11(12,13)14/h15H,2-9H2,1H3.
What are the key properties of N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine?
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 255.28 g/mol, XLogP of 1.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 114112890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).