5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline

C13H10Cl2FNO — CID 82716394

IUPAC5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-1-8(13(17)5-9)7-18-10-3-4-11(15)12(16)6-10/h1-6H,7,17H2
InChIKeyUHIZXYMIICPOOD-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

About 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline

5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline (PubChem CID 82716394) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
PubChem CID82716394
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
SMILESNc1cc(Cl)ccc1COc1ccc(Cl)c(F)c1
InChIInChI=1S/C13H10Cl2FNO/c14-9-2-1-8(13(17)5-9)7-18-10-3-4-11(15)12(16)6-10/h1-6H,7,17H2
InChIKeyUHIZXYMIICPOOD-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-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
5-bromo-2-[(3,4-dichlorophenoxy)methyl]aniline
CID 114380825
4-[(2-bromophenyl)methoxy]-1-chloro-2-fluorobenzene
CID 82716752
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
3-chloro-4-[(4-chloro-3-fluorophenoxy)methyl]benzoic acid
CID 102670243
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
CID 91656484
2-[(4-chloro-3-fluorophenoxy)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 82718062

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline?
The IUPAC name of 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline (CID 82716394) is 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline.
What is the SMILES notation for 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline?
The canonical SMILES for 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline is Nc1cc(Cl)ccc1COc1ccc(Cl)c(F)c1.
What is the InChIKey of 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline?
The InChIKey is UHIZXYMIICPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-2-1-8(13(17)5-9)7-18-10-3-4-11(15)12(16)6-10/h1-6H,7,17H2.
What are the key properties of 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline?
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]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 5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline is sourced from PubChem (CID 82716394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).