4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine

C15H18N2O4 — CID 15366420

IUPAC4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine
SMILESCOCOc1c(-c2ccncc2N)ccc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-18-9-21-14-11(10-6-7-17-8-12(10)16)4-5-13(19-2)15(14)20-3/h4-8H,9,16H2,1-3H3
InChIKeyKOBQOGRIEIBONB-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.33
Rot. Bonds6

About 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine

4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine (PubChem CID 15366420) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine
PubChem CID15366420
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine
SMILESCOCOc1c(-c2ccncc2N)ccc(OC)c1OC
InChIInChI=1S/C15H18N2O4/c1-18-9-21-14-11(10-6-7-17-8-12(10)16)4-5-13(19-2)15(14)20-3/h4-8H,9,16H2,1-3H3
InChIKeyKOBQOGRIEIBONB-UHFFFAOYSA-N
XLogP2.33
TPSA75.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(5-fluoro-2-methoxyphenyl)pyridin-3-amine
CID 70663373
4-methoxypyridin-3-amine;dihydrochloride
CID 163333119
4-(3-methoxy-4-pyridinyl)-3-(2-methylpropoxy)benzene-1,2-diamine
CID 129245711
[2-(2-chloro-3,4-dimethoxyphenyl)-1,3-thiazol-5-yl]methanamine
CID 55247497
4-(3-chloro-4-methoxyphenyl)pyridin-3-amine
CID 83167143
1-[4-methoxy-3-(methoxymethoxy)-2-pyridinyl]ethenamine
CID 135269755
2,3,4-trimethoxyaniline
CID 15455622
3-[3-amino-2-(methoxymethoxy)phenyl]-2-(methoxymethoxy)aniline
CID 135022405
4-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-4-N-methylpyridine-3,4-diamine
CID 103173299
2-chloro-4-methoxy-3-(methoxymethoxy)pyridine
CID 102262534
4-(5-methyl-1,3-thiazol-2-yl)pyridin-3-amine
CID 82403303
2-(2,3,4-trimethoxyphenyl)benzene-1,4-diamine
CID 18371878

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine?
The IUPAC name of 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine (CID 15366420) is 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine.
What is the SMILES notation for 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine?
The canonical SMILES for 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine is COCOc1c(-c2ccncc2N)ccc(OC)c1OC.
What is the InChIKey of 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine?
The InChIKey is KOBQOGRIEIBONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-18-9-21-14-11(10-6-7-17-8-12(10)16)4-5-13(19-2)15(14)20-3/h4-8H,9,16H2,1-3H3.
What are the key properties of 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine?
4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine has a molecular weight of 290.32 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-dimethoxy-2-(methoxymethoxy)phenyl]pyridin-3-amine is sourced from PubChem (CID 15366420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).