4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline

C16H18FNO2 — CID 55590956

IUPAC4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCOc1cc(F)ccc1NCCOc1ccc(C)cc1
InChIInChI=1S/C16H18FNO2/c1-12-3-6-14(7-4-12)20-10-9-18-15-8-5-13(17)11-16(15)19-2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRRDLSAZIJOMYOR-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.63
Rot. Bonds6

About 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline

4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline (PubChem CID 55590956) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
PubChem CID55590956
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline
SMILESCOc1cc(F)ccc1NCCOc1ccc(C)cc1
InChIInChI=1S/C16H18FNO2/c1-12-3-6-14(7-4-12)20-10-9-18-15-8-5-13(17)11-16(15)19-2/h3-8,11,18H,9-10H2,1-2H3
InChIKeyRRDLSAZIJOMYOR-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline 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-[2-(4-bromophenoxy)ethyl]-2,4-dimethoxyaniline
CID 60680640
4-fluoro-2-methyl-N-(2-phenoxyethyl)aniline
CID 54939816
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797
2-methoxy-5-methyl-N-[4-(4-methylphenoxy)butyl]aniline
CID 82096579
N-(4-fluoro-2-methoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 114525122
4-fluoro-2-methoxy-N-(3-methoxy-3-methylbutyl)aniline
CID 102975690
4-[2-(2-methoxy-5-methylanilino)ethoxy]benzonitrile
CID 51248463
2,4-dimethyl-N-[3-(4-methylphenoxy)propyl]aniline
CID 82096306
2,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]aniline
CID 54797025
3,4-difluoro-N-[2-(4-methylphenoxy)ethyl]aniline
CID 82096625
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyaniline
CID 54798120
2-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 60679505

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The IUPAC name of 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline (CID 55590956) is 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline.
What is the SMILES notation for 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The canonical SMILES for 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline is COc1cc(F)ccc1NCCOc1ccc(C)cc1.
What is the InChIKey of 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline?
The InChIKey is RRDLSAZIJOMYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-12-3-6-14(7-4-12)20-10-9-18-15-8-5-13(17)11-16(15)19-2/h3-8,11,18H,9-10H2,1-2H3.
What are the key properties of 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline?
4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxy-N-[2-(4-methylphenoxy)ethyl]aniline is sourced from PubChem (CID 55590956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).