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

C13H10Cl2FNO — CID 103037684

IUPAC4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
SMILESNc1ccc(Cl)c(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H10Cl2FNO/c14-10-3-2-9(17)6-13(10)18-7-8-1-4-12(16)11(15)5-8/h1-6H,7,17H2
InChIKeyAOWYGECHSUVPBK-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

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

4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline (PubChem CID 103037684) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
PubChem CID103037684
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline
SMILESNc1ccc(Cl)c(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H10Cl2FNO/c14-10-3-2-9(17)6-13(10)18-7-8-1-4-12(16)11(15)5-8/h1-6H,7,17H2
InChIKeyAOWYGECHSUVPBK-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-[(3-chloro-4-fluorophenyl)methoxy]aniline
CID 103037655
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
(3-chloro-4-fluorophenyl)methyl 4-amino-2-fluorobenzoate
CID 102979055
[4-[(2,5-dichlorophenoxy)methyl]phenyl]methanamine
CID 22688669
1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
[5-bromo-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037777
[4-[(3,4-dichlorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686337
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The IUPAC name of 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline (CID 103037684) is 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The canonical SMILES for 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline is Nc1ccc(Cl)c(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline?
The InChIKey is AOWYGECHSUVPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-10-3-2-9(17)6-13(10)18-7-8-1-4-12(16)11(15)5-8/h1-6H,7,17H2.
What are the key properties of 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline?
4-chloro-3-[(3-chloro-4-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 4-chloro-3-[(3-chloro-4-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 103037684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).