2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine

C14H20F3NO2 — CID 82792850

IUPAC2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESCNCC(OCCCC(F)(F)F)c1cccc(OC)c1
InChIInChI=1S/C14H20F3NO2/c1-18-10-13(20-8-4-7-14(15,16)17)11-5-3-6-12(9-11)19-2/h3,5-6,9,13,18H,4,7-8,10H2,1-2H3
InChIKeyBMHLVEWSRGUBFO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.31
Rot. Bonds8

About 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine

2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine (PubChem CID 82792850) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
PubChem CID82792850
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
SMILESCNCC(OCCCC(F)(F)F)c1cccc(OC)c1
InChIInChI=1S/C14H20F3NO2/c1-18-10-13(20-8-4-7-14(15,16)17)11-5-3-6-12(9-11)19-2/h3,5-6,9,13,18H,4,7-8,10H2,1-2H3
InChIKeyBMHLVEWSRGUBFO-UHFFFAOYSA-N
XLogP3.31
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)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-hexoxy-2-(3-methoxyphenyl)-N-methylethanamine
CID 55036389
2-(3-methoxyphenyl)-2-[2-(3-methoxypropoxy)ethoxy]-N-methylethanamine
CID 103180506
1-[2-bromo-1-(3,3,3-trifluoropropoxy)ethyl]-3-methoxybenzene
CID 82958918
2-(4-chlorophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792495
N-[2-(3-methoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethyl]-2-methylpropan-2-amine
CID 62110255
N-[2-(3-methoxyphenyl)-2-pentoxyethyl]propan-1-amine
CID 62109389
N-[2-(3-methoxyphenyl)-2-(4-methylpentoxy)ethyl]cyclopropanamine
CID 62111220
2-(2-bromophenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine
CID 82792734
2-(4-methoxyphenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 62109907
N-ethyl-2-(3-methoxyphenyl)-2-propoxyethanamine
CID 55036120
2-(4-fluorophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106822
2-(3-bromophenyl)-2-[(3-methoxyphenyl)methoxy]-N-methylethanamine
CID 62106102

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine (CID 82792850) is 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine is CNCC(OCCCC(F)(F)F)c1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine?
The InChIKey is BMHLVEWSRGUBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-18-10-13(20-8-4-7-14(15,16)17)11-5-3-6-12(9-11)19-2/h3,5-6,9,13,18H,4,7-8,10H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine?
2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-methyl-2-(4,4,4-trifluorobutoxy)ethanamine is sourced from PubChem (CID 82792850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).