6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine

C21H20N2O2 — CID 146353530

IUPAC6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine
SMILESC=C(OCc1ccc(Oc2ccccc2)cc1)c1ccc(C)nc1N
InChIInChI=1S/C21H20N2O2/c1-15-8-13-20(21(22)23-15)16(2)24-14-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-13H,2,14H2,1H3,(H2,22,23)
InChIKeyCHTVRAAZZDLEDR-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.95
Rot. Bonds6

About 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine

6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine (PubChem CID 146353530) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine
PubChem CID146353530
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine
SMILESC=C(OCc1ccc(Oc2ccccc2)cc1)c1ccc(C)nc1N
InChIInChI=1S/C21H20N2O2/c1-15-8-13-20(21(22)23-15)16(2)24-14-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-13H,2,14H2,1H3,(H2,22,23)
InChIKeyCHTVRAAZZDLEDR-UHFFFAOYSA-N
XLogP4.95
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-methyl-N-[(4-phenoxyphenyl)methyl]pyridine-3-carbothioamide
CID 58104303
6-methyl-3-[(4-phenoxyphenyl)methyl]pyridin-2-amine
CID 146503850
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
2-amino-N-[[4-(3-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66844381
2-amino-6-methyl-N-[[4-[3-(3-methylbutan-2-yl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843132
2-amino-N-[[4-(4-butoxyphenoxy)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843870
2-amino-6-methyl-N-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]pyridine-3-carboxamide
CID 66843703
6-methyl-2-phenoxypyridin-3-amine
CID 81131416
2-amino-N-[[4-[4-fluoro-3-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843895
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
2-amino-6-(2-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyridine-3-carboxamide
CID 70831046
2-amino-N-[[4-[3-fluoro-4-(trifluoromethyl)phenoxy]phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 66843636

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine?
The IUPAC name of 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine (CID 146353530) is 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine?
The canonical SMILES for 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine is C=C(OCc1ccc(Oc2ccccc2)cc1)c1ccc(C)nc1N.
What is the InChIKey of 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine?
The InChIKey is CHTVRAAZZDLEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15-8-13-20(21(22)23-15)16(2)24-14-17-9-11-19(12-10-17)25-18-6-4-3-5-7-18/h3-13H,2,14H2,1H3,(H2,22,23).
What are the key properties of 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine?
6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine has a molecular weight of 332.40 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[1-[(4-phenoxyphenyl)methoxy]ethenyl]pyridin-2-amine is sourced from PubChem (CID 146353530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).