5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine

C14H14N2O — CID 165410236

IUPAC5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine
SMILESNCC1Cc2ccccc2Oc2cnccc21
InChIInChI=1S/C14H14N2O/c15-8-11-7-10-3-1-2-4-13(10)17-14-9-16-6-5-12(11)14/h1-6,9,11H,7-8,15H2
InChIKeyCNKMRUQIWJTGRC-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.47
Rot. Bonds1

About 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine

5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine (PubChem CID 165410236) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine.

Molecular Properties

Compound Name5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine
PubChem CID165410236
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine
SMILESNCC1Cc2ccccc2Oc2cnccc21
InChIInChI=1S/C14H14N2O/c15-8-11-7-10-3-1-2-4-13(10)17-14-9-16-6-5-12(11)14/h1-6,9,11H,7-8,15H2
InChIKeyCNKMRUQIWJTGRC-UHFFFAOYSA-N
XLogP2.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(5S)-5,6-dihydro-[1]benzoxepino[2,3-b]pyridin-5-yl]methanamine
CID 167169305
[(6S)-4-fluoro-5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-6-yl]methanamine
CID 167169238
(2-fluoro-5,6-dihydrobenzo[b][1]benzoxepin-6-yl)methanamine
CID 165410508
[(6S)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 165410012
[(6R)-2-fluoro-5,6-dihydro-[1]benzoxepino[3,2-b]pyridin-6-yl]methanamine
CID 171472476
ethyl 5,6-dihydro-[1]benzoxepino[3,2-c]pyridine-6-carboxylate
CID 165410270
(5Z)-5-chromeno[2,3-c]pyridin-5-ylidenechromeno[2,3-c]pyridine
CID 118396540
11H-[1]benzoxepino[4,3-c]pyridin-5-one
CID 18675738
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
(6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)methanamine
CID 112714201
[(1R)-1,2-dihydroacenaphthylen-1-yl]methanamine
CID 92976167

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine?
The IUPAC name of 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine (CID 165410236) is 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine.
What is the SMILES notation for 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine?
The canonical SMILES for 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine is NCC1Cc2ccccc2Oc2cnccc21.
What is the InChIKey of 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine?
The InChIKey is CNKMRUQIWJTGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c15-8-11-7-10-3-1-2-4-13(10)17-14-9-16-6-5-12(11)14/h1-6,9,11H,7-8,15H2.
What are the key properties of 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine?
5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine has a molecular weight of 226.28 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-[1]benzoxepino[2,3-c]pyridin-5-ylmethanamine is sourced from PubChem (CID 165410236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).