6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine

C16H20N2O4 — CID 78851491

IUPAC6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H20N2O4/c1-19-13-7-11(8-14(20-2)16(13)22-4)9-17-12-5-6-15(21-3)18-10-12/h5-8,10,17H,9H2,1-4H3
InChIKeyKTOHXJYVGYRQMH-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds7

About 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine

6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine (PubChem CID 78851491) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
PubChem CID78851491
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
SMILESCOc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cn1
InChIInChI=1S/C16H20N2O4/c1-19-13-7-11(8-14(20-2)16(13)22-4)9-17-12-5-6-15(21-3)18-10-12/h5-8,10,17H,9H2,1-4H3
InChIKeyKTOHXJYVGYRQMH-UHFFFAOYSA-N
XLogP2.73
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine
CID 103926109
2-methoxy-4-[[(6-methoxy-3-pyridinyl)amino]methyl]benzonitrile
CID 106786755
6-methoxy-N-[(2,3,4-trimethoxyphenyl)methyl]pyridin-3-amine
CID 78851492
3,4-dimethoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936284
3,5-dimethyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23880433
N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 868190
5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 171705192
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(2,5-difluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 43312508
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
N-[(4-bromo-3-fluorophenyl)methyl]-6-methoxypyridin-3-amine
CID 81432610
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 23766005

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The IUPAC name of 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine (CID 78851491) is 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The canonical SMILES for 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine is COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cn1.
What is the InChIKey of 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
The InChIKey is KTOHXJYVGYRQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-19-13-7-11(8-14(20-2)16(13)22-4)9-17-12-5-6-15(21-3)18-10-12/h5-8,10,17H,9H2,1-4H3.
What are the key properties of 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine?
6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine has a molecular weight of 304.35 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 78851491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).