10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol

C24H29NO — CID 154154453

IUPAC10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol
SMILESCN1[C@@H]2CC[C@H]1CC(C1(O)c3ccccc3C(C)(C)c3ccccc31)C2
InChIInChI=1S/C24H29NO/c1-23(2)19-8-4-6-10-21(19)24(26,22-11-7-5-9-20(22)23)16-14-17-12-13-18(15-16)25(17)3/h4-11,16-18,26H,12-15H2,1-3H3/t16?,17-,18+
InChIKeyDHQLMUKGGQHAAB-AYHJJNSGSA-N
MW347.50 g/mol
LogP4.43
Rot. Bonds1

About 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol

10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol (PubChem CID 154154453) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol.

Molecular Properties

Compound Name10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol
PubChem CID154154453
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol
SMILESCN1[C@@H]2CC[C@H]1CC(C1(O)c3ccccc3C(C)(C)c3ccccc31)C2
InChIInChI=1S/C24H29NO/c1-23(2)19-8-4-6-10-21(19)24(26,22-11-7-5-9-20(22)23)16-14-17-12-13-18(15-16)25(17)3/h4-11,16-18,26H,12-15H2,1-3H3/t16?,17-,18+
InChIKeyDHQLMUKGGQHAAB-AYHJJNSGSA-N
XLogP4.43
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol?
The IUPAC name of 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol (CID 154154453) is 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol.
What is the SMILES notation for 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol?
The canonical SMILES for 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol is CN1[C@@H]2CC[C@H]1CC(C1(O)c3ccccc3C(C)(C)c3ccccc31)C2.
What is the InChIKey of 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol?
The InChIKey is DHQLMUKGGQHAAB-AYHJJNSGSA-N. The full InChI is InChI=1S/C24H29NO/c1-23(2)19-8-4-6-10-21(19)24(26,22-11-7-5-9-20(22)23)16-14-17-12-13-18(15-16)25(17)3/h4-11,16-18,26H,12-15H2,1-3H3/t16?,17-,18+.
What are the key properties of 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol?
10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol has a molecular weight of 347.50 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-dimethyl-9-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]anthracen-9-ol is sourced from PubChem (CID 154154453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).