2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline

C14H13Cl2NO — CID 107305411

IUPAC2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-9-5-6-12(17)13(7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3
InChIKeyAZVMOKCICSKWIX-UHFFFAOYSA-N
MW282.17 g/mol
LogP4.46
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline

2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline (PubChem CID 107305411) has the molecular formula C14H13Cl2NO and a molecular weight of 282.17 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
PubChem CID107305411
Molecular FormulaC14H13Cl2NO
Molecular Weight282.17 g/mol
Exact Mass281.04
IUPAC Name2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
SMILESCc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H13Cl2NO/c1-9-5-6-12(17)13(7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3
InChIKeyAZVMOKCICSKWIX-UHFFFAOYSA-N
XLogP4.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 54.46
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-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305490
2-[(2-chloro-4-methylphenyl)methoxy]-4-methylaniline
CID 106861414
3-[(2-chloro-5-methylphenoxy)methyl]-2-methylaniline
CID 43509419
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
2-[2-(2,6-dichlorophenoxy)ethoxy]-4-methylaniline
CID 39452119
2-[(2-bromophenyl)methoxy]-4-methylaniline
CID 24691550
1,2-dichloro-3-[(3-methylphenoxy)methyl]benzene
CID 107310396
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylaniline
CID 102855353
4-methyl-2-(quinolin-8-ylmethoxy)aniline
CID 28773261
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
1,2-dichloro-3-[(2,3-dimethylphenoxy)methyl]benzene
CID 107310416

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline?
The IUPAC name of 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline (CID 107305411) is 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline is Cc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline?
The InChIKey is AZVMOKCICSKWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO/c1-9-5-6-12(17)13(7-9)18-8-10-3-2-4-11(15)14(10)16/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline?
2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline has a molecular weight of 282.17 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline is sourced from PubChem (CID 107305411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).