[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol

C16H19NO4 — CID 165145180

IUPAC[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol
SMILESCOc1ccc(OCc2cccc(N)c2)cc1C(O)OC
InChIInChI=1S/C16H19NO4/c1-19-15-7-6-13(9-14(15)16(18)20-2)21-10-11-4-3-5-12(17)8-11/h3-9,16,18H,10,17H2,1-2H3
InChIKeyJQRARLNOONTZCQ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.49
Rot. Bonds6

About [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol

[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol (PubChem CID 165145180) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol.

Molecular Properties

Compound Name[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol
PubChem CID165145180
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol
SMILESCOc1ccc(OCc2cccc(N)c2)cc1C(O)OC
InChIInChI=1S/C16H19NO4/c1-19-15-7-6-13(9-14(15)16(18)20-2)21-10-11-4-3-5-12(17)8-11/h3-9,16,18H,10,17H2,1-2H3
InChIKeyJQRARLNOONTZCQ-UHFFFAOYSA-N
XLogP2.49
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
3-[(3-chloro-4-methoxyphenyl)methoxy]aniline
CID 82354171
4-[(3-methoxyphenyl)methoxy]benzene-1,2-diamine
CID 69307184
4-[(3-bromophenyl)methoxy]-3-methoxyaniline
CID 55036826
(2R)-2-[(1R)-1-(2-methoxy-5-phenylmethoxyphenyl)ethoxy]propan-1-ol
CID 10663217
3-methoxy-4-phenylmethoxyaniline
CID 27226
3-[[7-[(3-aminophenyl)methoxy]-9H-fluoren-2-yl]oxymethyl]aniline
CID 89312244
(1S)-1-[4-[(3,4-dimethoxyphenyl)methoxy]phenyl]ethanol
CID 78933373
4-methoxy-3-[(3-methylphenyl)methoxy]aniline
CID 16792794
1-(3-aminophenyl)-2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 107663977
1-[3-[(3-aminophenyl)methoxy]phenyl]propan-1-one
CID 174428034
3-[(2-methoxy-5-methylphenyl)methoxy]aniline
CID 61034710

Frequently Asked Questions

What is the IUPAC name of [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol?
The IUPAC name of [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol (CID 165145180) is [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol.
What is the SMILES notation for [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol?
The canonical SMILES for [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol is COc1ccc(OCc2cccc(N)c2)cc1C(O)OC.
What is the InChIKey of [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol?
The InChIKey is JQRARLNOONTZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-15-7-6-13(9-14(15)16(18)20-2)21-10-11-4-3-5-12(17)8-11/h3-9,16,18H,10,17H2,1-2H3.
What are the key properties of [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol?
[5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol has a molecular weight of 289.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-aminophenyl)methoxy]-2-methoxyphenyl]-methoxymethanol is sourced from PubChem (CID 165145180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).