2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine

C20H18N2O2 — CID 170859937

IUPAC2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine
SMILESNCCc1cnc2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H18N2O2/c21-12-11-15-13-18-19(22-14-15)24-20(23-18,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14H,11-12,21H2
InChIKeyCDAQRHDHVJDGGE-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.26
Rot. Bonds4

About 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine

2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine (PubChem CID 170859937) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine
PubChem CID170859937
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine
SMILESNCCc1cnc2c(c1)OC(c1ccccc1)(c1ccccc1)O2
InChIInChI=1S/C20H18N2O2/c21-12-11-15-13-18-19(22-14-15)24-20(23-18,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14H,11-12,21H2
InChIKeyCDAQRHDHVJDGGE-UHFFFAOYSA-N
XLogP3.26
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-quinolin-3-ylethanamine;hydrochloride
CID 68724239
2-([1,3]oxazolo[5,4-b]pyridin-6-yl)ethanamine
CID 84651562
2-[2-(1-phenylcyclopentyl)pyrimidin-5-yl]ethanamine
CID 63079037
5-(2-aminoethyl)-N-methyl-N-phenylpyridin-2-amine
CID 80633207
5-(2-aminoethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 80633206
2-(6-benzyl-3-pyridinyl)ethanamine
CID 117001758
azane;2-phenylethanamine
CID 23506485
2-(6-fluoro-3-pyridinyl)ethanamine
CID 55253622
5-(2-aminoethyl)-N-benzyl-N-propan-2-ylpyridin-2-amine
CID 80633350
2-[4-(2-phenylethyl)phenyl]ethanamine
CID 15036636
2-[5-(1-phenylcyclopropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179292
5-(2-aminoethyl)-N-ethyl-3-methyl-N-(2-methylphenyl)pyridin-2-amine
CID 80633214

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine?
The IUPAC name of 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine (CID 170859937) is 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine?
The canonical SMILES for 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine is NCCc1cnc2c(c1)OC(c1ccccc1)(c1ccccc1)O2.
What is the InChIKey of 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine?
The InChIKey is CDAQRHDHVJDGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c21-12-11-15-13-18-19(22-14-15)24-20(23-18,16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-14H,11-12,21H2.
What are the key properties of 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine?
2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine has a molecular weight of 318.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenyl-[1,3]dioxolo[4,5-b]pyridin-6-yl)ethanamine is sourced from PubChem (CID 170859937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).