3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline

C16H18FNO2 — CID 62018699

IUPAC3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline
SMILESCOc1ccc(COc2c(C)ccc(N)c2C)cc1F
InChIInChI=1S/C16H18FNO2/c1-10-4-6-14(18)11(2)16(10)20-9-12-5-7-15(19-3)13(17)8-12/h4-8H,9,18H2,1-3H3
InChIKeyDITDTVXHGIINCY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.61
Rot. Bonds4

About 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline

3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline (PubChem CID 62018699) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline
PubChem CID62018699
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline
SMILESCOc1ccc(COc2c(C)ccc(N)c2C)cc1F
InChIInChI=1S/C16H18FNO2/c1-10-4-6-14(18)11(2)16(10)20-9-12-5-7-15(19-3)13(17)8-12/h4-8H,9,18H2,1-3H3
InChIKeyDITDTVXHGIINCY-UHFFFAOYSA-N
XLogP3.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline?
The IUPAC name of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline (CID 62018699) is 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline.
What is the SMILES notation for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline?
The canonical SMILES for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline is COc1ccc(COc2c(C)ccc(N)c2C)cc1F.
What is the InChIKey of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline?
The InChIKey is DITDTVXHGIINCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-10-4-6-14(18)11(2)16(10)20-9-12-5-7-15(19-3)13(17)8-12/h4-8H,9,18H2,1-3H3.
What are the key properties of 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline?
3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline has a molecular weight of 275.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-4-methoxyphenyl)methoxy]-2,4-dimethylaniline is sourced from PubChem (CID 62018699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).