1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine

C14H20F3NO2 — CID 82790045

IUPAC1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(COCCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-18-9-11-4-5-13(19-2)12(8-11)10-20-7-3-6-14(15,16)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3
InChIKeyZENSFEUDAQATQI-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.27
Rot. Bonds8

About 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine

1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine (PubChem CID 82790045) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
PubChem CID82790045
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine
SMILESCNCc1ccc(OC)c(COCCCC(F)(F)F)c1
InChIInChI=1S/C14H20F3NO2/c1-18-9-11-4-5-13(19-2)12(8-11)10-20-7-3-6-14(15,16)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3
InChIKeyZENSFEUDAQATQI-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine 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

1-[4-methoxy-3-(3-methoxypropoxymethyl)phenyl]-N-methylmethanamine
CID 62018577
1-[4-methoxy-3-(octoxymethyl)phenyl]-N-methylmethanamine
CID 62018951
2-methoxy-5-(4,4,4-trifluorobutoxymethyl)aniline
CID 82788543
2,2,2-trifluoro-N-[[2-methoxy-5-(methylaminomethyl)phenyl]methyl]-N-methylethanamine
CID 62018917
N-[[3-(butoxymethyl)-4-methoxyphenyl]methyl]propan-1-amine
CID 62017264
N-[[4-methoxy-3-(4-methylpentoxymethyl)phenyl]methyl]ethanamine
CID 62017826
N-[[3-(2-butoxyethoxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62017074
N-methyl-1-[2-methyl-5-(4,4,4-trifluorobutoxymethyl)furan-3-yl]methanamine
CID 82791959
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
1-[3-[(5-fluoro-2-methylphenoxy)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 102981053
3-[[3-(butoxymethyl)-4-methoxyphenyl]methylamino]propan-1-ol
CID 90741984
2-methoxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarbothioamide
CID 106789207

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine (CID 82790045) is 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine is CNCc1ccc(OC)c(COCCCC(F)(F)F)c1.
What is the InChIKey of 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine?
The InChIKey is ZENSFEUDAQATQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-18-9-11-4-5-13(19-2)12(8-11)10-20-7-3-6-14(15,16)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine?
1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine has a molecular weight of 291.31 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(4,4,4-trifluorobutoxymethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 82790045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).