2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline

C14H13F2NO2 — CID 58021961

IUPAC2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(F)c(N)c2)c1F
InChIInChI=1S/C14H13F2NO2/c1-18-13-4-2-3-9(14(13)16)8-19-10-5-6-11(15)12(17)7-10/h2-7H,8,17H2,1H3
InChIKeyOLANGQWRAUSDOO-UHFFFAOYSA-N
MW265.26 g/mol
LogP3.13
Rot. Bonds4

About 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline

2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline (PubChem CID 58021961) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
PubChem CID58021961
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Name2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline
SMILESCOc1cccc(COc2ccc(F)c(N)c2)c1F
InChIInChI=1S/C14H13F2NO2/c1-18-13-4-2-3-9(14(13)16)8-19-10-5-6-11(15)12(17)7-10/h2-7H,8,17H2,1H3
InChIKeyOLANGQWRAUSDOO-UHFFFAOYSA-N
XLogP3.13
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[4-(bromomethyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104792542
4-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792136
[3-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]boronic acid
CID 104792588
3-[(2-fluoro-3-methoxyphenyl)methoxy]benzonitrile
CID 104792137
5-[(2-chloro-3-fluoro-6-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58022245
[5-chloro-2-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]methanamine
CID 104791271
2-chloro-5-[(2-fluoro-3-methoxyphenyl)methoxy]benzoic acid
CID 106500786
1-[4-[(2-fluoro-3-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 104791273
2-fluoro-1-methoxy-3-(methoxymethyl)benzene
CID 70661160
5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58021946
1-[[3-(3-chloroprop-1-ynyl)phenoxy]methyl]-2-fluoro-3-methoxybenzene
CID 104794301
5-[(5-fluoro-2-methylphenyl)methoxy]-2-methoxyaniline
CID 103201230

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline?
The IUPAC name of 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline (CID 58021961) is 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline.
What is the SMILES notation for 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline?
The canonical SMILES for 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline is COc1cccc(COc2ccc(F)c(N)c2)c1F.
What is the InChIKey of 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline?
The InChIKey is OLANGQWRAUSDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-18-13-4-2-3-9(14(13)16)8-19-10-5-6-11(15)12(17)7-10/h2-7H,8,17H2,1H3.
What are the key properties of 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline?
2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline has a molecular weight of 265.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(2-fluoro-3-methoxyphenyl)methoxy]aniline is sourced from PubChem (CID 58021961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).