2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline

C13H10Cl2FNO — CID 107878038

IUPAC2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)c(F)c2)cc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-10-3-1-8(5-12(10)16)7-18-9-2-4-13(17)11(15)6-9/h1-6H,7,17H2
InChIKeyWESABYGBXYLUCI-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline

2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline (PubChem CID 107878038) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
PubChem CID107878038
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)c(F)c2)cc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-10-3-1-8(5-12(10)16)7-18-9-2-4-13(17)11(15)6-9/h1-6H,7,17H2
InChIKeyWESABYGBXYLUCI-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

2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
2-chloro-4-[(4-methoxyphenyl)methoxy]aniline
CID 62113615
2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
4-[(4-tert-butylphenyl)methoxy]-2-chloroaniline
CID 63404633
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
4-[(4-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 91655713
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057
2-chloro-4-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]aniline
CID 168863796
2-chloro-4-[(3-chlorophenoxy)methyl]aniline
CID 117220338
magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
CID 91656484

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline?
The IUPAC name of 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline (CID 107878038) is 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline?
The canonical SMILES for 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline is Nc1ccc(OCc2ccc(Cl)c(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline?
The InChIKey is WESABYGBXYLUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-10-3-1-8(5-12(10)16)7-18-9-2-4-13(17)11(15)6-9/h1-6H,7,17H2.
What are the key properties of 2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline?
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline 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-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 107878038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).