3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine

C16H20N2O — CID 103183068

IUPAC3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine
SMILESCc1cnc(COC(C)c2ccccc2)c(C)c1N
InChIInChI=1S/C16H20N2O/c1-11-9-18-15(12(2)16(11)17)10-19-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H2,17,18)
InChIKeyLFFZQCYCZBBSDL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.56
Rot. Bonds4

About 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine

3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine (PubChem CID 103183068) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine
PubChem CID103183068
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine
SMILESCc1cnc(COC(C)c2ccccc2)c(C)c1N
InChIInChI=1S/C16H20N2O/c1-11-9-18-15(12(2)16(11)17)10-19-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H2,17,18)
InChIKeyLFFZQCYCZBBSDL-UHFFFAOYSA-N
XLogP3.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine (CID 103183068) is 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine is Cc1cnc(COC(C)c2ccccc2)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine?
The InChIKey is LFFZQCYCZBBSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-11-9-18-15(12(2)16(11)17)10-19-13(3)14-7-5-4-6-8-14/h4-9,13H,10H2,1-3H3,(H2,17,18).
What are the key properties of 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine?
3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(1-phenylethoxymethyl)pyridin-4-amine is sourced from PubChem (CID 103183068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).