[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate

C15H16N2O2 — CID 91586814

IUPAC[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate
SMILESCN(CC(OC=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-9-5-6-10-16-15)11-14(19-12-18)13-7-3-2-4-8-13/h2-10,12,14H,11H2,1H3
InChIKeyRUMSIRAIZGQIGH-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.43
Rot. Bonds6

About [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate

[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate (PubChem CID 91586814) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate.

Molecular Properties

Compound Name[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate
PubChem CID91586814
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate
SMILESCN(CC(OC=O)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H16N2O2/c1-17(15-9-5-6-10-16-15)11-14(19-12-18)13-7-3-2-4-8-13/h2-10,12,14H,11H2,1H3
InChIKeyRUMSIRAIZGQIGH-UHFFFAOYSA-N
XLogP2.43
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate?
The IUPAC name of [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate (CID 91586814) is [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate.
What is the SMILES notation for [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate?
The canonical SMILES for [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate is CN(CC(OC=O)c1ccccc1)c1ccccn1.
What is the InChIKey of [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate?
The InChIKey is RUMSIRAIZGQIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(15-9-5-6-10-16-15)11-14(19-12-18)13-7-3-2-4-8-13/h2-10,12,14H,11H2,1H3.
What are the key properties of [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate?
[2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate has a molecular weight of 256.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyridin-2-yl)amino]-1-phenylethyl] formate is sourced from PubChem (CID 91586814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).