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

C16H18FNO2 — CID 62599050

IUPAC4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
SMILESCOc1ccc(COCCNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-16-8-2-13(3-9-16)12-20-11-10-18-15-6-4-14(17)5-7-15/h2-9,18H,10-12H2,1H3
InChIKeyOPKVMVZFRKUKSW-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.46
Rot. Bonds7

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

4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline (PubChem CID 62599050) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline.

Molecular Properties

Compound Name4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
PubChem CID62599050
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
SMILESCOc1ccc(COCCNc2ccc(F)cc2)cc1
InChIInChI=1S/C16H18FNO2/c1-19-16-8-2-13(3-9-16)12-20-11-10-18-15-6-4-14(17)5-7-15/h2-9,18H,10-12H2,1H3
InChIKeyOPKVMVZFRKUKSW-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

4-fluoro-N-[(6-methoxynaphthalen-2-yl)methyl]aniline
CID 29054094
N-(2-butoxyethyl)-4-fluoroaniline
CID 61482924
difluoromethane;1-fluoro-4-methoxybenzene
CID 157211198
N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
4-[2-(4-methoxyanilino)ethoxy]phenol
CID 71735773
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
1-methoxy-4-[2-(2-methoxyethoxy)ethoxymethyl]benzene
CID 102074732
N-[(4-fluorophenyl)methyl]-4-(methoxymethyl)aniline
CID 83961111
2-[(4-methoxyphenyl)methoxy]-N-(2-phenoxyethyl)ethanamine
CID 166769212

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline?
The IUPAC name of 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline (CID 62599050) is 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline.
What is the SMILES notation for 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline?
The canonical SMILES for 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline is COc1ccc(COCCNc2ccc(F)cc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline?
The InChIKey is OPKVMVZFRKUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-19-16-8-2-13(3-9-16)12-20-11-10-18-15-6-4-14(17)5-7-15/h2-9,18H,10-12H2,1H3.
What are the key properties of 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline?
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]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 4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline is sourced from PubChem (CID 62599050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).