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

C14H13Cl2NO2 — CID 107305490

IUPAC2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-18-10-5-6-12(17)13(7-10)19-8-9-3-2-4-11(15)14(9)16/h2-7H,8,17H2,1H3
InChIKeyDHXGWTGZKJMJAG-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.16
Rot. Bonds4

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

2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline (PubChem CID 107305490) has the molecular formula C14H13Cl2NO2 and a molecular weight of 298.17 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
PubChem CID107305490
Molecular FormulaC14H13Cl2NO2
Molecular Weight298.17 g/mol
Exact Mass297.03
IUPAC Name2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
SMILESCOc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C14H13Cl2NO2/c1-18-10-5-6-12(17)13(7-10)19-8-9-3-2-4-11(15)14(9)16/h2-7H,8,17H2,1H3
InChIKeyDHXGWTGZKJMJAG-UHFFFAOYSA-N
XLogP4.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(2,3-dichlorophenyl)methoxy]-4-methylaniline
CID 107305411
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329
1-bromo-2-[(2,3-dichlorophenoxy)methyl]-4-methoxybenzene
CID 65326523
3-[(2-bromo-4-methoxyphenoxy)methyl]-2-methylaniline
CID 104706661
methyl 2-amino-6-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107341836
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
3-(2,3-dichlorophenyl)-2-(2,4-dimethoxyphenyl)propan-1-amine
CID 83973145
[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 43267981
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
3-[2-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]prop-2-yn-1-amine
CID 104706915

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline?
The IUPAC name of 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline (CID 107305490) is 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline?
The canonical SMILES for 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline is COc1ccc(N)c(OCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline?
The InChIKey is DHXGWTGZKJMJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO2/c1-18-10-5-6-12(17)13(7-10)19-8-9-3-2-4-11(15)14(9)16/h2-7H,8,17H2,1H3.
What are the key properties of 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline?
2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline has a molecular weight of 298.17 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline is sourced from PubChem (CID 107305490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).