4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine

C16H20N2 — CID 83167693

IUPAC4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine
SMILESCc1c(C)c(C)c(-c2ccncc2N)c(C)c1C
InChIInChI=1S/C16H20N2/c1-9-10(2)12(4)16(13(5)11(9)3)14-6-7-18-8-15(14)17/h6-8H,17H2,1-5H3
InChIKeyUPFNNLMTOLCBAE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.87
Rot. Bonds1

About 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine

4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine (PubChem CID 83167693) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine
PubChem CID83167693
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine
SMILESCc1c(C)c(C)c(-c2ccncc2N)c(C)c1C
InChIInChI=1S/C16H20N2/c1-9-10(2)12(4)16(13(5)11(9)3)14-6-7-18-8-15(14)17/h6-8H,17H2,1-5H3
InChIKeyUPFNNLMTOLCBAE-UHFFFAOYSA-N
XLogP3.87
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine?
The IUPAC name of 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine (CID 83167693) is 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine.
What is the SMILES notation for 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine?
The canonical SMILES for 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine is Cc1c(C)c(C)c(-c2ccncc2N)c(C)c1C.
What is the InChIKey of 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine?
The InChIKey is UPFNNLMTOLCBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-9-10(2)12(4)16(13(5)11(9)3)14-6-7-18-8-15(14)17/h6-8H,17H2,1-5H3.
What are the key properties of 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine?
4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine has a molecular weight of 240.35 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5,6-pentamethylphenyl)pyridin-3-amine is sourced from PubChem (CID 83167693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).