2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline

C15H15ClFNO2 — CID 107615999

IUPAC2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
SMILESCOCCOc1ccccc1-c1cc(F)cc(Cl)c1N
InChIInChI=1S/C15H15ClFNO2/c1-19-6-7-20-14-5-3-2-4-11(14)12-8-10(17)9-13(16)15(12)18/h2-5,8-9H,6-7,18H2,1H3
InChIKeySDVROAYPJRFPIP-UHFFFAOYSA-N
MW295.74 g/mol
LogP3.75
Rot. Bonds5

About 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline

2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline (PubChem CID 107615999) has the molecular formula C15H15ClFNO2 and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
PubChem CID107615999
Molecular FormulaC15H15ClFNO2
Molecular Weight295.74 g/mol
Exact Mass295.08
IUPAC Name2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline
SMILESCOCCOc1ccccc1-c1cc(F)cc(Cl)c1N
InChIInChI=1S/C15H15ClFNO2/c1-19-6-7-20-14-5-3-2-4-11(14)12-8-10(17)9-13(16)15(12)18/h2-5,8-9H,6-7,18H2,1H3
InChIKeySDVROAYPJRFPIP-UHFFFAOYSA-N
XLogP3.75
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]benzene
CID 102202030
2,5-dichloro-4-[2-(2-methoxyethoxy)phenyl]phenol
CID 107663415
3-[2-(2-methoxyethoxy)phenyl]-2-methylaniline
CID 107626878
[2-[2-(2-methoxyethoxy)phenyl]phenyl]methanamine
CID 104660838
3-[2-(2-methoxyethoxy)phenyl]aniline
CID 104660805
2,4-difluoro-6-(2-methoxyethoxy)aniline
CID 115507275
2-chloro-4-fluoro-6-phenylaniline
CID 69144890
5-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]aniline
CID 104559855
(2-amino-5-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659443
2-(2-aminophenyl)-4-(2-methoxyethoxy)benzene-1,3-diamine
CID 174469442
2-chloro-4-fluoro-6-(4-propoxyphenyl)aniline
CID 107615777
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline?
The IUPAC name of 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline (CID 107615999) is 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline.
What is the SMILES notation for 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline?
The canonical SMILES for 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline is COCCOc1ccccc1-c1cc(F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline?
The InChIKey is SDVROAYPJRFPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO2/c1-19-6-7-20-14-5-3-2-4-11(14)12-8-10(17)9-13(16)15(12)18/h2-5,8-9H,6-7,18H2,1H3.
What are the key properties of 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline?
2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline has a molecular weight of 295.74 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-6-[2-(2-methoxyethoxy)phenyl]aniline is sourced from PubChem (CID 107615999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).