4-[(3,4,5-trimethoxyphenyl)methoxy]aniline

C16H19NO4 — CID 19626867

IUPAC4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-18-14-8-11(9-15(19-2)16(14)20-3)10-21-13-6-4-12(17)5-7-13/h4-9H,10,17H2,1-3H3
InChIKeyNOSYDQVSMNXWBR-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.87
Rot. Bonds6

About 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline

4-[(3,4,5-trimethoxyphenyl)methoxy]aniline (PubChem CID 19626867) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
PubChem CID19626867
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[(3,4,5-trimethoxyphenyl)methoxy]aniline
SMILESCOc1cc(COc2ccc(N)cc2)cc(OC)c1OC
InChIInChI=1S/C16H19NO4/c1-18-14-8-11(9-15(19-2)16(14)20-3)10-21-13-6-4-12(17)5-7-13/h4-9H,10,17H2,1-3H3
InChIKeyNOSYDQVSMNXWBR-UHFFFAOYSA-N
XLogP2.87
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
5-[(4-aminophenoxy)methyl]-2-methoxybenzonitrile
CID 65341217
5-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624547
4-[(3,5-dimethoxyphenoxy)methyl]aniline
CID 43589819
(3,4,5-trimethoxyphenyl)methyl 4-(phenoxymethyl)benzoate
CID 9095553
3-chloro-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19624482
(3,4,5-trimethoxyphenyl)methyl 2-(4-bromophenoxy)acetate
CID 9095645
(4-phenylmethoxyphenyl) 2-(3,4,5-trimethoxyphenyl)acetate
CID 8019810
5-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methoxy]aniline
CID 19627067
4-[(2-methoxy-5-propan-2-ylphenyl)methoxy]aniline
CID 82354174
4-phenylmethoxyaniline
CID 159966727
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The IUPAC name of 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline (CID 19626867) is 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline.
What is the SMILES notation for 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The canonical SMILES for 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline is COc1cc(COc2ccc(N)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
The InChIKey is NOSYDQVSMNXWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-18-14-8-11(9-15(19-2)16(14)20-3)10-21-13-6-4-12(17)5-7-13/h4-9H,10,17H2,1-3H3.
What are the key properties of 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline?
4-[(3,4,5-trimethoxyphenyl)methoxy]aniline has a molecular weight of 289.33 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4,5-trimethoxyphenyl)methoxy]aniline is sourced from PubChem (CID 19626867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).