2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline

C13H10Cl2FNO — CID 58022040

IUPAC2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2cc(Cl)ccc2F)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-9-1-4-12(16)8(5-9)7-18-10-2-3-11(15)13(17)6-10/h1-6H,7,17H2
InChIKeyYCXQHUUDMVTHOQ-UHFFFAOYSA-N
MW286.13 g/mol
LogP4.29
Rot. Bonds3

About 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline

2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline (PubChem CID 58022040) has the molecular formula C13H10Cl2FNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
PubChem CID58022040
Molecular FormulaC13H10Cl2FNO
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC Name2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
SMILESNc1cc(OCc2cc(Cl)ccc2F)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO/c14-9-1-4-12(16)8(5-9)7-18-10-2-3-11(15)13(17)6-10/h1-6H,7,17H2
InChIKeyYCXQHUUDMVTHOQ-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

5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58021946
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
(5-chloro-2-fluorophenyl)methyl 3-amino-4-chlorobenzoate
CID 103049371
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 103046268
2-[(3-amino-4-chlorophenoxy)methyl]benzonitrile
CID 58022209
5-[(5-bromo-2-fluorophenyl)methoxy]-2-methylaniline
CID 114252418
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline?
The IUPAC name of 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline (CID 58022040) is 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline?
The canonical SMILES for 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline is Nc1cc(OCc2cc(Cl)ccc2F)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline?
The InChIKey is YCXQHUUDMVTHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO/c14-9-1-4-12(16)8(5-9)7-18-10-2-3-11(15)13(17)6-10/h1-6H,7,17H2.
What are the key properties of 2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline?
2-chloro-5-[(5-chloro-2-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-5-[(5-chloro-2-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 58022040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).