2-(3,4-dimethoxyphenoxy)-4-methoxyaniline

C15H17NO4 — CID 123638335

IUPAC2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H17NO4/c1-17-10-4-6-12(16)14(8-10)20-11-5-7-13(18-2)15(9-11)19-3/h4-9H,16H2,1-3H3
InChIKeyUYJLIJDPWVLTKR-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.09
Rot. Bonds5

About 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline

2-(3,4-dimethoxyphenoxy)-4-methoxyaniline (PubChem CID 123638335) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
PubChem CID123638335
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
SMILESCOc1ccc(N)c(Oc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C15H17NO4/c1-17-10-4-6-12(16)14(8-10)20-11-5-7-13(18-2)15(9-11)19-3/h4-9H,16H2,1-3H3
InChIKeyUYJLIJDPWVLTKR-UHFFFAOYSA-N
XLogP3.09
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-4-(5-methoxy-2-methylphenoxy)benzene
CID 123959246
2-(4-bromo-3-methylphenoxy)-4-methoxyaniline
CID 83133415
1,4-dimethoxy-2-(3-methoxyphenoxy)benzene
CID 95561214
2,4-dimethoxyaniline;sulfuric acid
CID 160678823
O-(2,5-dimethoxyphenyl)hydroxylamine
CID 117273124
2-(2-bromo-4-methoxyphenoxy)-4,5-dimethoxyaniline
CID 104706561
4-(2-bromo-4-methylphenoxy)-2-methoxyaniline
CID 55232767
4-(4-bromophenoxy)-2-methoxyaniline
CID 55234373
2-methoxy-4-(3-methylpyridazin-4-yl)oxyaniline
CID 69195684
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline?
The IUPAC name of 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline (CID 123638335) is 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline.
What is the SMILES notation for 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline?
The canonical SMILES for 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline is COc1ccc(N)c(Oc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline?
The InChIKey is UYJLIJDPWVLTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-17-10-4-6-12(16)14(8-10)20-11-5-7-13(18-2)15(9-11)19-3/h4-9H,16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline?
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline has a molecular weight of 275.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenoxy)-4-methoxyaniline is sourced from PubChem (CID 123638335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).