(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

C24H29NO — CID 25019321

IUPAC(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCOc1ccc2c(c1)C(CN1C[C@@H]3CC[C@@H]1Cc1ccccc1C3)CC2
InChIInChI=1S/C24H29NO/c1-26-23-11-9-18-7-8-21(24(18)14-23)16-25-15-17-6-10-22(25)13-20-5-3-2-4-19(20)12-17/h2-5,9,11,14,17,21-22H,6-8,10,12-13,15-16H2,1H3/t17-,21?,22-/m1/s1
InChIKeyRIWOHVOWWDPTFV-PNWAUMQTSA-N
MW347.50 g/mol
LogP4.60
Rot. Bonds3

About (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene

(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (PubChem CID 25019321) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.

Molecular Properties

Compound Name(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
PubChem CID25019321
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene
SMILESCOc1ccc2c(c1)C(CN1C[C@@H]3CC[C@@H]1Cc1ccccc1C3)CC2
InChIInChI=1S/C24H29NO/c1-26-23-11-9-18-7-8-21(24(18)14-23)16-25-15-17-6-10-22(25)13-20-5-3-2-4-19(20)12-17/h2-5,9,11,14,17,21-22H,6-8,10,12-13,15-16H2,1H3/t17-,21?,22-/m1/s1
InChIKeyRIWOHVOWWDPTFV-PNWAUMQTSA-N
XLogP4.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene with MolForge

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Related Compounds

(1S,4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane
CID 138696682
methane;(4S)-2-[[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]methyl]-5-phenyl-2,5-diazabicyclo[2.2.2]octane;molecular hydrogen
CID 142283490
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-4-phenoxypiperidine
CID 134242961
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
2-[(1R)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethanamine
CID 10900371
(6-methoxy-2,3-dihydro-1H-inden-1-yl)-(5-phenyl-2,5-diazabicyclo[2.2.2]octan-2-yl)methanone
CID 139301949
1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 23044238
6-methoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627821
(1S,9S,12R)-10-(cyclopropylmethyl)-4-methoxy-12-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 155676367
N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
N-[2-[(1S)-6-methoxy-2,3-dihydro-1H-inden-1-yl]ethyl]-2-oxopropanamide
CID 142703369
ethyl 1-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]piperidine-3-carboxylate;hydrochloride
CID 159114747

Frequently Asked Questions

What is the IUPAC name of (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The IUPAC name of (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene (CID 25019321) is (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene.
What is the SMILES notation for (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The canonical SMILES for (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is COc1ccc2c(c1)C(CN1C[C@@H]3CC[C@@H]1Cc1ccccc1C3)CC2.
What is the InChIKey of (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
The InChIKey is RIWOHVOWWDPTFV-PNWAUMQTSA-N. The full InChI is InChI=1S/C24H29NO/c1-26-23-11-9-18-7-8-21(24(18)14-23)16-25-15-17-6-10-22(25)13-20-5-3-2-4-19(20)12-17/h2-5,9,11,14,17,21-22H,6-8,10,12-13,15-16H2,1H3/t17-,21?,22-/m1/s1.
What are the key properties of (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene?
(1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene has a molecular weight of 347.50 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R)-11-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]-11-azatricyclo[8.2.2.03,8]tetradeca-3,5,7-triene is sourced from PubChem (CID 25019321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).