2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline

C13H10Cl2FNO — CID 55200768

IUPAC2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
SMILESNc1cccc(F)c1COc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-9-3-1-4-10(15)13(9)18-7-8-11(16)5-2-6-12(8)17/h1-6H,7,17H2
InChIKeyMSJCAFMBMARYMQ-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

About 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline

2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline (PubChem CID 55200768) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline.

Molecular Properties

Compound Name2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
PubChem CID55200768
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline
SMILESNc1cccc(F)c1COc1c(Cl)cccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-9-3-1-4-10(15)13(9)18-7-8-11(16)5-2-6-12(8)17/h1-6H,7,17H2
InChIKeyMSJCAFMBMARYMQ-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83050868
2-[(3,4-dichlorophenoxy)methyl]-3-fluoroaniline
CID 63331345
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanamine
CID 112607809
3-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-5-fluoroaniline
CID 61496215
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
2-[(3,4-difluorophenoxy)methyl]-3-fluoroaniline
CID 63331973
3-chloro-2-[(2,6-difluorophenyl)methoxy]benzoic acid
CID 114930306
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-bromo-5-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83051603
3-chloro-2-[(4-chloro-2,6-dimethylphenoxy)methyl]aniline
CID 63747302
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline?
The IUPAC name of 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline (CID 55200768) is 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline.
What is the SMILES notation for 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline?
The canonical SMILES for 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline is Nc1cccc(F)c1COc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline?
The InChIKey is MSJCAFMBMARYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-3-1-4-10(15)13(9)18-7-8-11(16)5-2-6-12(8)17/h1-6H,7,17H2.
What are the key properties of 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline?
2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline has a molecular weight of 286.13 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenoxy)methyl]-3-fluoroaniline is sourced from PubChem (CID 55200768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).