9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine

C16H23NO2 — CID 13293117

IUPAC9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCCCN1CCOC2c3cc(OC)ccc3CCC21
InChIInChI=1S/C16H23NO2/c1-3-8-17-9-10-19-16-14-11-13(18-2)6-4-12(14)5-7-15(16)17/h4,6,11,15-16H,3,5,7-10H2,1-2H3
InChIKeyIXYJBYAUMXCVDF-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.79
Rot. Bonds3

About 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine

9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine (PubChem CID 13293117) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine.

Molecular Properties

Compound Name9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
PubChem CID13293117
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
SMILESCCCN1CCOC2c3cc(OC)ccc3CCC21
InChIInChI=1S/C16H23NO2/c1-3-8-17-9-10-19-16-14-11-13(18-2)6-4-12(14)5-7-15(16)17/h4,6,11,15-16H,3,5,7-10H2,1-2H3
InChIKeyIXYJBYAUMXCVDF-UHFFFAOYSA-N
XLogP2.79
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
CID 10060538
methyl (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine-9-carboxylate
CID 44591564
(3aS,9bR)-8-methoxy-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 100948186
7-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 13432829
ethyl 3-(8-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)propanoate
CID 129243882
(E)-4-(8-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)but-2-enoic acid
CID 166312371
6-methoxy-N-[(4-methylmorpholin-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 79367337
(4aR,10bR)-4-(2-fluoroethyl)-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine
CID 25015914
4-[(4aR,10bR)-9-hydroxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]butanal
CID 129140885
7-methoxy-2-morpholin-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79248446
2-(9-methoxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 66771539
(4aR,10bS)-9-methoxy-4-propyl-1,2,3,4a,5,10b-hexahydrochromeno[3,4-b]pyridine
CID 18603956

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The IUPAC name of 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine (CID 13293117) is 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine.
What is the SMILES notation for 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The canonical SMILES for 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine is CCCN1CCOC2c3cc(OC)ccc3CCC21.
What is the InChIKey of 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
The InChIKey is IXYJBYAUMXCVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-8-17-9-10-19-16-14-11-13(18-2)6-4-12(14)5-7-15(16)17/h4,6,11,15-16H,3,5,7-10H2,1-2H3.
What are the key properties of 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine?
9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine has a molecular weight of 261.37 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazine is sourced from PubChem (CID 13293117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).