N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine

C14H16N2O — CID 102545259

IUPACN-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine
SMILESCNCc1cnc(Oc2ccccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-11-8-14(16-10-12(11)9-15-2)17-13-6-4-3-5-7-13/h3-8,10,15H,9H2,1-2H3
InChIKeyPHEIUGNJCGAFFO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.90
Rot. Bonds4

About N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine

N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine (PubChem CID 102545259) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine
PubChem CID102545259
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC NameN-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine
SMILESCNCc1cnc(Oc2ccccc2)cc1C
InChIInChI=1S/C14H16N2O/c1-11-8-14(16-10-12(11)9-15-2)17-13-6-4-3-5-7-13/h3-8,10,15H,9H2,1-2H3
InChIKeyPHEIUGNJCGAFFO-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine?
The IUPAC name of N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine (CID 102545259) is N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine is CNCc1cnc(Oc2ccccc2)cc1C.
What is the InChIKey of N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine?
The InChIKey is PHEIUGNJCGAFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-11-8-14(16-10-12(11)9-15-2)17-13-6-4-3-5-7-13/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine?
N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine has a molecular weight of 228.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methyl-6-phenoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 102545259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).