4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene

C17H25NO — CID 13059739

IUPAC4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1(C)CCN(C)CC(C2)C1C
InChIInChI=1S/C17H25NO/c1-12-14-9-13-5-6-15(19-4)10-16(13)17(12,2)7-8-18(3)11-14/h5-6,10,12,14H,7-9,11H2,1-4H3
InChIKeyPRHFHWVZGKWWJG-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.10
Rot. Bonds1

About 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene

4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene (PubChem CID 13059739) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
PubChem CID13059739
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene
SMILESCOc1ccc2c(c1)C1(C)CCN(C)CC(C2)C1C
InChIInChI=1S/C17H25NO/c1-12-14-9-13-5-6-15(19-4)10-16(13)17(12,2)7-8-18(3)11-14/h5-6,10,12,14H,7-9,11H2,1-4H3
InChIKeyPRHFHWVZGKWWJG-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,9S,14R)-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
CID 6602207
(1R,9R,10S)-4-methoxy-12,17-dimethyl-12,17-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene
CID 118583905
1-[(1R)-4-methoxy-1,10-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-yl]piperidin-4-amine
CID 90122807
(1R,9S,13R)-10-[2-(4-methoxyphenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 3048361
(1S,9R,13S)-4-methoxy-1,10-dimethyl-N-propyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 126665191
(1R,9R,13S)-10-(cyclopropylmethyl)-4-methoxy-N,1-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-13-amine
CID 90122726
(1S,9R,13R)-1-ethyl-4-methoxy-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 71167641
(8bS)-7-methoxy-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indole
CID 12518610
4-methoxy-10,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-1-ol
CID 90123000
3-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-methylpiperidine
CID 178102694
(1R,14S)-4-methoxy-N,N,1-trimethyltricyclo[7.4.1.02,7]tetradeca-2(7),3,5,11-tetraen-14-amine;hydrochloride
CID 90679409
(1S,9S,13S)-1,10,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;hydrochloride
CID 76961759

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The IUPAC name of 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene (CID 13059739) is 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene.
What is the SMILES notation for 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The canonical SMILES for 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene is COc1ccc2c(c1)C1(C)CCN(C)CC(C2)C1C.
What is the InChIKey of 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
The InChIKey is PRHFHWVZGKWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-14-9-13-5-6-15(19-4)10-16(13)17(12,2)7-8-18(3)11-14/h5-6,10,12,14H,7-9,11H2,1-4H3.
What are the key properties of 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene?
4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene has a molecular weight of 259.39 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1,11,14-trimethyl-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-triene is sourced from PubChem (CID 13059739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).