N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine

C15H22F3NO2 — CID 63320255

IUPACN-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCCCCOc1ccc(CNCCOC)cc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-3-4-8-21-14-6-5-12(11-19-7-9-20-2)10-13(14)15(16,17)18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
InChIKeyNGLTYBQMMCEFHJ-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.62
Rot. Bonds9

About N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine

N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine (PubChem CID 63320255) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
PubChem CID63320255
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC NameN-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
SMILESCCCCOc1ccc(CNCCOC)cc1C(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-3-4-8-21-14-6-5-12(11-19-7-9-20-2)10-13(14)15(16,17)18/h5-6,10,19H,3-4,7-9,11H2,1-2H3
InChIKeyNGLTYBQMMCEFHJ-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine 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-[[4-ethoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320023
N-[[4-but-3-ynoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320118
3-[[4-heptoxy-3-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 143869125
N-[[4-butan-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320254
1-[4-[(2-methoxyethylamino)methyl]-2-(trifluoromethyl)phenoxy]propan-2-ol
CID 63320117
2-methoxy-N-[[4-(2-methylprop-2-enoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 63319465
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 63319928
N-[[4-but-3-en-2-yloxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63319979
N-[(3-bromo-4-hexoxyphenyl)methyl]-2-methoxyethanamine
CID 63501576
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 107288905
N-[[3-fluoro-4-(4,4,4-trifluorobutoxy)phenyl]methyl]-2-methoxyethanamine
CID 107689137
N-[[4-(2-fluoroethoxy)-3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80700225

Frequently Asked Questions

What is the IUPAC name of N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine (CID 63320255) is N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine is CCCCOc1ccc(CNCCOC)cc1C(F)(F)F.
What is the InChIKey of N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
The InChIKey is NGLTYBQMMCEFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-3-4-8-21-14-6-5-12(11-19-7-9-20-2)10-13(14)15(16,17)18/h5-6,10,19H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine?
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine has a molecular weight of 305.34 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63320255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).