3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine

C17H22N2O — CID 165410168

IUPAC3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
SMILESCCc1ccc2c(n1)CCc1ccccc1O2.CNC
InChIInChI=1S/C15H15NO.C2H7N/c1-2-12-8-10-15-13(16-12)9-7-11-5-3-4-6-14(11)17-15;1-3-2/h3-6,8,10H,2,7,9H2,1H3;3H,1-2H3
InChIKeySLMCGGMBXUPBLF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.37
Rot. Bonds1

About 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine

3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine (PubChem CID 165410168) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine.

Molecular Properties

Compound Name3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
PubChem CID165410168
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
SMILESCCc1ccc2c(n1)CCc1ccccc1O2.CNC
InChIInChI=1S/C15H15NO.C2H7N/c1-2-12-8-10-15-13(16-12)9-7-11-5-3-4-6-14(11)17-15;1-3-2/h3-6,8,10H,2,7,9H2,1H3;3H,1-2H3
InChIKeySLMCGGMBXUPBLF-UHFFFAOYSA-N
XLogP3.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylbutan-2-yl)-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134218281
3-ethyl-5,6-dihydro-[1]benzoxepino[2,3-c]pyridine
CID 122491961
5,6-dihydro-[1]benzoxepino[2,3-b]pyridine;N-methylmethanamine
CID 165410480
8-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine
CID 165410285
2-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134215019
8-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134214968
2-ethyl-5,6-dihydro-1,10-phenanthroline;propane
CID 155743377
(2E)-2-ethylidene-3,4-dihydrochromene
CID 145341121
9H-xanthene
CID 7107
ethyl 2-(5,6-dihydrobenzo[b][1]benzoxepin-3-yl)acetate
CID 13134780
11,12-dihydro-[1]benzoxocino[4,3-b]pyridin-5-one
CID 165346789
2,3-diethyl-9H-xanthene
CID 174888406

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The IUPAC name of 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine (CID 165410168) is 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine.
What is the SMILES notation for 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The canonical SMILES for 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine is CCc1ccc2c(n1)CCc1ccccc1O2.CNC.
What is the InChIKey of 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
The InChIKey is SLMCGGMBXUPBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO.C2H7N/c1-2-12-8-10-15-13(16-12)9-7-11-5-3-4-6-14(11)17-15;1-3-2/h3-6,8,10H,2,7,9H2,1H3;3H,1-2H3.
What are the key properties of 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine?
3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine has a molecular weight of 270.38 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine;N-methylmethanamine is sourced from PubChem (CID 165410168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).