(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol

C23H29NO — CID 15685658

IUPAC(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCc1ccccc1[C@@H]1[C@@H]2CCC[C@@H](C2O)[C@H](c2ccccc2C)N1C
InChIInChI=1S/C23H29NO/c1-15-9-4-6-11-17(15)21-19-13-8-14-20(23(19)25)22(24(21)3)18-12-7-5-10-16(18)2/h4-7,9-12,19-23,25H,8,13-14H2,1-3H3/t19-,20+,21+,22-,23?
InChIKeyDRUKVIHHHUAWLU-HXWZUFOWSA-N
MW335.49 g/mol
LogP4.81
Rot. Bonds2

About (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol

(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 15685658) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID15685658
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCc1ccccc1[C@@H]1[C@@H]2CCC[C@@H](C2O)[C@H](c2ccccc2C)N1C
InChIInChI=1S/C23H29NO/c1-15-9-4-6-11-17(15)21-19-13-8-14-20(23(19)25)22(24(21)3)18-12-7-5-10-16(18)2/h4-7,9-12,19-23,25H,8,13-14H2,1-3H3/t19-,20+,21+,22-,23?
InChIKeyDRUKVIHHHUAWLU-HXWZUFOWSA-N
XLogP4.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-1,2-dimethyl-3-(2-methylphenyl)aziridine
CID 25150642
(4aR,5R,9bR)-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 24839459
trans-(1R,2S)-2-(2-methylphenyl)cyclohexan-1-ol
CID 11263979
3-(2-methylphenyl)cyclohexan-1-ol
CID 64513685
2-(2-methylphenyl)piperidin-3-ol
CID 82403237
[(3R,3aS,6aS)-2-methyl-3-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-cyclopentylmethanone;hydrochloride
CID 171711431
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
(2S,3R)-N-(cyclobutylmethyl)-4-methyl-3-(2-methylphenyl)-5-oxomorpholine-2-carboxamide
CID 134698510
(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 15685656
7-chloro-1-methyl-5-(2-methylphenyl)-2,3,4,4a,5,9b-hexahydroindeno[1,2-b]pyridine
CID 70630590
(2R,3R)-1-ethyl-2-(2-methylphenyl)-6-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 110086978

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol (CID 15685658) is (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol is Cc1ccccc1[C@@H]1[C@@H]2CCC[C@@H](C2O)[C@H](c2ccccc2C)N1C.
What is the InChIKey of (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is DRUKVIHHHUAWLU-HXWZUFOWSA-N. The full InChI is InChI=1S/C23H29NO/c1-15-9-4-6-11-17(15)21-19-13-8-14-20(23(19)25)22(24(21)3)18-12-7-5-10-16(18)2/h4-7,9-12,19-23,25H,8,13-14H2,1-3H3/t19-,20+,21+,22-,23?.
What are the key properties of (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 335.49 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 15685658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).