N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline

C17H20FNO2 — CID 83058583

IUPACN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C(C)Nc2ccc(C)cc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-11-5-8-15(17(9-11)21-4)19-12(2)13-6-7-14(18)16(10-13)20-3/h5-10,12,19H,1-4H3
InChIKeyOKGZHASNTLPVAZ-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.32
Rot. Bonds5

About N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline

N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline (PubChem CID 83058583) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
PubChem CID83058583
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC NameN-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline
SMILESCOc1cc(C(C)Nc2ccc(C)cc2OC)ccc1F
InChIInChI=1S/C17H20FNO2/c1-11-5-8-15(17(9-11)21-4)19-12(2)13-6-7-14(18)16(10-13)20-3/h5-10,12,19H,1-4H3
InChIKeyOKGZHASNTLPVAZ-UHFFFAOYSA-N
XLogP4.32
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline 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-bromo-4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83075597
4-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-iodoaniline
CID 107632142
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-fluoro-5-methylaniline
CID 43772760
N-[1-(4-chlorophenyl)propyl]-2-methoxy-4-methylaniline
CID 63451185
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 83075673
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-fluoro-2-methoxyaniline
CID 61221357
3,4,5-trifluoro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]aniline
CID 83058996
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
2-chloro-N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-5-methoxyaniline
CID 83058858
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxypyridin-3-amine
CID 83075504
N-[1-(3,4-difluorophenyl)ethyl]-4-fluoro-3-methoxyaniline
CID 114838632
2-fluoro-4-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43114236

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline?
The IUPAC name of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline (CID 83058583) is N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline.
What is the SMILES notation for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline?
The canonical SMILES for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline is COc1cc(C(C)Nc2ccc(C)cc2OC)ccc1F.
What is the InChIKey of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline?
The InChIKey is OKGZHASNTLPVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-11-5-8-15(17(9-11)21-4)19-12(2)13-6-7-14(18)16(10-13)20-3/h5-10,12,19H,1-4H3.
What are the key properties of N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline?
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline has a molecular weight of 289.35 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methoxyphenyl)ethyl]-2-methoxy-4-methylaniline is sourced from PubChem (CID 83058583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).