4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline

C16H18FNO — CID 54865374

IUPAC4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-3-19-14-8-9-16(12(2)10-14)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3
InChIKeyWKQSYGILSJMJPW-UHFFFAOYSA-N
MW259.32 g/mol
LogP4.14
Rot. Bonds5

About 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline

4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline (PubChem CID 54865374) has the molecular formula C16H18FNO and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline.

Molecular Properties

Compound Name4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
PubChem CID54865374
Molecular FormulaC16H18FNO
Molecular Weight259.32 g/mol
Exact Mass259.14
IUPAC Name4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline
SMILESCCOc1ccc(NCc2ccccc2F)c(C)c1
InChIInChI=1S/C16H18FNO/c1-3-19-14-8-9-16(12(2)10-14)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3
InChIKeyWKQSYGILSJMJPW-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

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-methyl-N-(pyridin-2-ylmethyl)aniline
CID 54865375
4-ethoxy-N-[1-(2-fluorophenyl)ethyl]-2-methylaniline
CID 60936269
4-ethoxy-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 54865409
4-ethoxy-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]aniline
CID 54865353
2-[(4-ethoxy-2-methylanilino)methyl]-4-methoxyphenol
CID 60935381
N-[(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylaniline
CID 43230210
N-[(3-chloro-5-fluorophenyl)methyl]-4-ethoxy-2-methylaniline
CID 114452686
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethoxy-2-methylaniline
CID 79578562
[4-[(4-ethoxy-2-methylanilino)methyl]phenyl]methanol
CID 110006558
N-[(2-ethoxyphenyl)methyl]-2,4-dimethylaniline
CID 29274401
4-ethoxy-N-[(3-methoxyphenyl)methyl]-2-methylaniline
CID 60936145
N-[[4-(difluoromethyl)phenyl]methyl]-4-ethoxy-2-methylaniline
CID 115523834

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline?
The IUPAC name of 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline (CID 54865374) is 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline.
What is the SMILES notation for 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline?
The canonical SMILES for 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline is CCOc1ccc(NCc2ccccc2F)c(C)c1.
What is the InChIKey of 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline?
The InChIKey is WKQSYGILSJMJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO/c1-3-19-14-8-9-16(12(2)10-14)18-11-13-6-4-5-7-15(13)17/h4-10,18H,3,11H2,1-2H3.
What are the key properties of 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline?
4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline 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 4-ethoxy-N-[(2-fluorophenyl)methyl]-2-methylaniline is sourced from PubChem (CID 54865374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).