1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine

C14H16N2O — CID 114053820

IUPAC1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ncccc1OC
InChIInChI=1S/C14H16N2O/c1-15-13(11-7-4-3-5-8-11)14-12(17-2)9-6-10-16-14/h3-10,13,15H,1-2H3
InChIKeyPIDJXCHJFCIYKP-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.40
Rot. Bonds4

About 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine

1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine (PubChem CID 114053820) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine.

Molecular Properties

Compound Name1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
PubChem CID114053820
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine
SMILESCNC(c1ccccc1)c1ncccc1OC
InChIInChI=1S/C14H16N2O/c1-15-13(11-7-4-3-5-8-11)14-12(17-2)9-6-10-16-14/h3-10,13,15H,1-2H3
InChIKeyPIDJXCHJFCIYKP-UHFFFAOYSA-N
XLogP2.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The IUPAC name of 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine (CID 114053820) is 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine.
What is the SMILES notation for 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The canonical SMILES for 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine is CNC(c1ccccc1)c1ncccc1OC.
What is the InChIKey of 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine?
The InChIKey is PIDJXCHJFCIYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-15-13(11-7-4-3-5-8-11)14-12(17-2)9-6-10-16-14/h3-10,13,15H,1-2H3.
What are the key properties of 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine?
1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine has a molecular weight of 228.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-pyridinyl)-N-methyl-1-phenylmethanamine is sourced from PubChem (CID 114053820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).