3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

C16H18FNO2 — CID 39374232

IUPAC3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-19-9-10-20-16-8-3-2-5-13(16)12-18-15-7-4-6-14(17)11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyFZKQIIBDQYWTHF-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.46
Rot. Bonds7

About 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline

3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (PubChem CID 39374232) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.

Molecular Properties

Compound Name3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
PubChem CID39374232
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
SMILESCOCCOc1ccccc1CNc1cccc(F)c1
InChIInChI=1S/C16H18FNO2/c1-19-9-10-20-16-8-3-2-5-13(16)12-18-15-7-4-6-14(17)11-15/h2-8,11,18H,9-10,12H2,1H3
InChIKeyFZKQIIBDQYWTHF-UHFFFAOYSA-N
XLogP3.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-3-fluoroaniline
CID 23793082
N-[[2-(2-methoxyethoxy)phenyl]methyl]-3-(2-phenylethoxy)aniline
CID 54802511
4-tert-butyl-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline
CID 39455772
4-(2-methoxyethoxy)-N-[(2-propoxyphenyl)methyl]aniline
CID 54799789
2-[(3-fluoroanilino)methyl]phenol
CID 27267422
2-fluoro-6-[[3-(2-methoxyethoxy)anilino]methyl]phenol
CID 115951590
N-[[2-(2-methoxyethoxy)phenyl]methyl]-2,4,6-trimethylaniline
CID 39422606
N-[[2-(2-methoxyethoxy)phenyl]methyl]naphthalen-1-amine
CID 54795963
3-fluoro-N-[2-(2-prop-2-enylphenoxy)ethyl]aniline
CID 62584533
N-[2-(2-ethoxyphenoxy)ethyl]-3-fluoroaniline
CID 62572879
4-fluoro-N-[[2-(2-phenoxyethoxy)phenyl]methyl]aniline
CID 54796483
N-[[5-fluoro-2-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 107696624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The IUPAC name of 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline (CID 39374232) is 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline.
What is the SMILES notation for 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The canonical SMILES for 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is COCCOc1ccccc1CNc1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
The InChIKey is FZKQIIBDQYWTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-9-10-20-16-8-3-2-5-13(16)12-18-15-7-4-6-14(17)11-15/h2-8,11,18H,9-10,12H2,1H3.
What are the key properties of 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline?
3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline has a molecular weight of 275.32 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[2-(2-methoxyethoxy)phenyl]methyl]aniline is sourced from PubChem (CID 39374232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).