4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline

C17H20FNO2 — CID 62120757

IUPAC4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
SMILESCCOc1ccc(NCc2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C17H20FNO2/c1-4-21-16-8-6-14(10-17(16)20-3)19-11-13-5-7-15(18)12(2)9-13/h5-10,19H,4,11H2,1-3H3
InChIKeyDPGGJTRGQMJJSF-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.15
Rot. Bonds6

About 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline

4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline (PubChem CID 62120757) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline.

Molecular Properties

Compound Name4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
PubChem CID62120757
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline
SMILESCCOc1ccc(NCc2ccc(F)c(C)c2)cc1OC
InChIInChI=1S/C17H20FNO2/c1-4-21-16-8-6-14(10-17(16)20-3)19-11-13-5-7-15(18)12(2)9-13/h5-10,19H,4,11H2,1-3H3
InChIKeyDPGGJTRGQMJJSF-UHFFFAOYSA-N
XLogP4.15
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methyl]-3,4-difluoroaniline
CID 28615179
N-[(3-bromo-4-fluorophenyl)methyl]-4-ethoxy-3-methoxyaniline
CID 43717333
5-[(4-ethoxy-3-fluoroanilino)methyl]-2-methoxyphenol
CID 115587231
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-methylaniline
CID 28609770
3-bromo-4-fluoro-N-[(4-methoxy-3-methylphenyl)methyl]aniline
CID 104775863
4-[(4-ethoxy-3-methoxyanilino)methyl]benzonitrile
CID 43231976
N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxy-3-methylaniline
CID 61059639
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methylaniline
CID 28890884
3-bromo-N-[(3-ethoxy-4-methoxyphenyl)methyl]-4-methylaniline
CID 63333064
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
N-[(5-chloro-2-fluorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 115761993

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline?
The IUPAC name of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline (CID 62120757) is 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline.
What is the SMILES notation for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline?
The canonical SMILES for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline is CCOc1ccc(NCc2ccc(F)c(C)c2)cc1OC.
What is the InChIKey of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline?
The InChIKey is DPGGJTRGQMJJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-4-21-16-8-6-14(10-17(16)20-3)19-11-13-5-7-15(18)12(2)9-13/h5-10,19H,4,11H2,1-3H3.
What are the key properties of 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline?
4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline has a molecular weight of 289.35 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-fluoro-3-methylphenyl)methyl]-3-methoxyaniline is sourced from PubChem (CID 62120757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).