2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline

C15H16ClNO3 — CID 83008379

IUPAC2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H16ClNO3/c1-18-14-7-12(17)13(8-15(14)19-2)20-9-10-3-5-11(16)6-4-10/h3-8H,9,17H2,1-2H3
InChIKeyZDEILQDKPOIJBV-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.52
Rot. Bonds5

About 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline

2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline (PubChem CID 83008379) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
PubChem CID83008379
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline
SMILESCOc1cc(N)c(OCc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C15H16ClNO3/c1-18-14-7-12(17)13(8-15(14)19-2)20-9-10-3-5-11(16)6-4-10/h3-8H,9,17H2,1-2H3
InChIKeyZDEILQDKPOIJBV-UHFFFAOYSA-N
XLogP3.52
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-chlorophenyl)methoxy]-2-methoxyaniline
CID 65126776
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
5-chloro-2-[(4-methylphenyl)methoxy]aniline
CID 19624539
6-[(4-chlorophenyl)methoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 65126828
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
methyl 4-amino-3-[(4-chlorophenyl)methoxy]benzoate
CID 43380184
4-[(4-chlorophenyl)methoxy]-3-methoxybenzonitrile
CID 2240004
1-(4-chlorophenyl)-5-[(4-fluorophenyl)methoxy]-2,4-dimethoxybenzene
CID 91038963
2-N-[(4-chlorophenyl)methyl]-4,5-dimethoxybenzene-1,2-diamine
CID 83001192
2-[(4-tert-butylphenyl)methoxy]-5-chloroaniline
CID 28521783
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline (CID 83008379) is 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline is COc1cc(N)c(OCc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline?
The InChIKey is ZDEILQDKPOIJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-18-14-7-12(17)13(8-15(14)19-2)20-9-10-3-5-11(16)6-4-10/h3-8H,9,17H2,1-2H3.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline?
2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline has a molecular weight of 293.75 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-4,5-dimethoxyaniline is sourced from PubChem (CID 83008379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).