4-[(2,4-dichlorophenyl)methoxy]aniline

C13H11Cl2NO — CID 11579870

IUPAC4-[(2,4-dichlorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2NO/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8,16H2
InChIKeyHRFQDYIICCKGEN-UHFFFAOYSA-N
MW268.14 g/mol
LogP4.15
Rot. Bonds3

About 4-[(2,4-dichlorophenyl)methoxy]aniline

4-[(2,4-dichlorophenyl)methoxy]aniline (PubChem CID 11579870) has the molecular formula C13H11Cl2NO and a molecular weight of 268.14 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(2,4-dichlorophenyl)methoxy]aniline
PubChem CID11579870
Molecular FormulaC13H11Cl2NO
Molecular Weight268.14 g/mol
Exact Mass267.02
IUPAC Name4-[(2,4-dichlorophenyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C13H11Cl2NO/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8,16H2
InChIKeyHRFQDYIICCKGEN-UHFFFAOYSA-N
XLogP4.15
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[[4-(aminomethyl)-2-chlorophenyl]methoxy]aniline
CID 169243522
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
2-bromo-6-[(2,4-dichlorophenyl)methoxy]naphthalene
CID 60624704
4-[(4-bromo-3-fluorophenoxy)methyl]-3-chloroaniline
CID 65203491
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
2-chloro-4-[(2,4-dichlorophenyl)methoxy]benzonitrile
CID 102724001
3-chloro-4-[(4-hydroxyphenoxy)methyl]phenol
CID 117219716
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]aniline?
The IUPAC name of 4-[(2,4-dichlorophenyl)methoxy]aniline (CID 11579870) is 4-[(2,4-dichlorophenyl)methoxy]aniline.
What is the SMILES notation for 4-[(2,4-dichlorophenyl)methoxy]aniline?
The canonical SMILES for 4-[(2,4-dichlorophenyl)methoxy]aniline is Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-[(2,4-dichlorophenyl)methoxy]aniline?
The InChIKey is HRFQDYIICCKGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO/c14-10-2-1-9(13(15)7-10)8-17-12-5-3-11(16)4-6-12/h1-7H,8,16H2.
What are the key properties of 4-[(2,4-dichlorophenyl)methoxy]aniline?
4-[(2,4-dichlorophenyl)methoxy]aniline has a molecular weight of 268.14 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenyl)methoxy]aniline is sourced from PubChem (CID 11579870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).