4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol

C15H18N2O4 — CID 43688370

IUPAC4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol
SMILESCOCCOc1ccc(NCc2ccc(O)cc2O)cn1
InChIInChI=1S/C15H18N2O4/c1-20-6-7-21-15-5-3-12(10-17-15)16-9-11-2-4-13(18)8-14(11)19/h2-5,8,10,16,18-19H,6-7,9H2,1H3
InChIKeyPTELDPYGMGCEDS-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.13
Rot. Bonds7

About 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol

4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol (PubChem CID 43688370) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol
PubChem CID43688370
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol
SMILESCOCCOc1ccc(NCc2ccc(O)cc2O)cn1
InChIInChI=1S/C15H18N2O4/c1-20-6-7-21-15-5-3-12(10-17-15)16-9-11-2-4-13(18)8-14(11)19/h2-5,8,10,16,18-19H,6-7,9H2,1H3
InChIKeyPTELDPYGMGCEDS-UHFFFAOYSA-N
XLogP2.13
TPSA83.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 43688357
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
4-[(2-propoxyanilino)methyl]benzene-1,3-diol
CID 43682277
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine
CID 43688348
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
2-[[5-[(2,4-dimethylphenyl)methylamino]-2-pyridinyl]oxy]ethanol
CID 109379933
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol (CID 43688370) is 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol is COCCOc1ccc(NCc2ccc(O)cc2O)cn1.
What is the InChIKey of 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol?
The InChIKey is PTELDPYGMGCEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-20-6-7-21-15-5-3-12(10-17-15)16-9-11-2-4-13(18)8-14(11)19/h2-5,8,10,16,18-19H,6-7,9H2,1H3.
What are the key properties of 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol?
4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol has a molecular weight of 290.32 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]benzene-1,3-diol is sourced from PubChem (CID 43688370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).