2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline

C14H13ClFNO2 — CID 39381707

IUPAC2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline
SMILESNc1cc(OCCOc2ccccc2F)ccc1Cl
InChIInChI=1S/C14H13ClFNO2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9H,7-8,17H2
InChIKeyMDADKRPLJPMGRS-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline

2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline (PubChem CID 39381707) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline
PubChem CID39381707
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline
SMILESNc1cc(OCCOc2ccccc2F)ccc1Cl
InChIInChI=1S/C14H13ClFNO2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9H,7-8,17H2
InChIKeyMDADKRPLJPMGRS-UHFFFAOYSA-N
XLogP3.52
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.52
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

2-chloro-5-[2-(2,6-dimethylphenoxy)ethoxy]aniline
CID 39399797
O-[2-(2-fluorophenoxy)ethyl]hydroxylamine
CID 11019312
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
N-(3-amino-4-chlorophenyl)-2-(2-fluorophenoxy)acetamide
CID 16793498
4-[2-(2-fluorophenoxy)ethoxy]benzenecarbothioamide
CID 43290949
3-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 43304729
4-[2-(2-fluorophenoxy)ethoxy]-N-methylaniline
CID 61026671
4-chloro-2-[2-(2-fluorophenoxy)ethylsulfanyl]aniline
CID 79527953
2-chloro-5-[2-(2,3,6-trimethylphenoxy)ethoxy]aniline
CID 39439031
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline?
The IUPAC name of 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline (CID 39381707) is 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline.
What is the SMILES notation for 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline?
The canonical SMILES for 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline is Nc1cc(OCCOc2ccccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline?
The InChIKey is MDADKRPLJPMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c15-11-6-5-10(9-13(11)17)18-7-8-19-14-4-2-1-3-12(14)16/h1-6,9H,7-8,17H2.
What are the key properties of 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline?
2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline has a molecular weight of 281.71 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-(2-fluorophenoxy)ethoxy]aniline is sourced from PubChem (CID 39381707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).