2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline

C16H18FNO — CID 43730030

IUPAC2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccccc1C
InChIInChI=1S/C16H18FNO/c1-3-19-16-10-14(17)8-9-15(16)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3
InChIKeyUNAMUXPRCBJXOW-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.14
Rot. Bonds5

About 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline

2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline (PubChem CID 43730030) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
PubChem CID43730030
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline
SMILESCCOc1cc(F)ccc1NCc1ccccc1C
InChIInChI=1S/C16H18FNO/c1-3-19-16-10-14(17)8-9-15(16)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3
InChIKeyUNAMUXPRCBJXOW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-aminophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 66418425
2-ethoxy-N-[(2-ethoxyphenyl)methyl]-4-methylaniline
CID 60935397
N-[(2,6-difluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730035
N-[(4-bromo-2-fluorophenyl)methyl]-2-ethoxy-4-fluoroaniline
CID 43730106
2-ethoxy-4-fluoro-N-[(3-methylfuran-2-yl)methyl]aniline
CID 115777075
N-[(2-ethoxyphenyl)methyl]-2,5-difluoro-4-methylaniline
CID 103585263
4-ethoxy-3-fluoro-N-[(2-methylphenyl)methyl]aniline
CID 112685466
2-[(2-ethoxyphenyl)methylamino]-5-fluorobenzonitrile
CID 79033707
2-ethoxy-4-fluoro-N-propylaniline
CID 43730181
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
2-ethoxy-4-fluoro-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43729988
N-(2-ethoxy-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80711042

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline?
The IUPAC name of 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline (CID 43730030) is 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline.
What is the SMILES notation for 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline?
The canonical SMILES for 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline is CCOc1cc(F)ccc1NCc1ccccc1C.
What is the InChIKey of 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline?
The InChIKey is UNAMUXPRCBJXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-19-16-10-14(17)8-9-15(16)18-11-13-7-5-4-6-12(13)2/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline?
2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline has a molecular weight of 259.32 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-fluoro-N-[(2-methylphenyl)methyl]aniline is sourced from PubChem (CID 43730030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).