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

C20H21Cl2NO — CID 15685656

IUPAC(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1[C@H]2CCC[C@@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-16-10-3-1-6-12(16)18-14-8-5-9-15(20(14)24)19(23-18)13-7-2-4-11-17(13)22/h1-4,6-7,10-11,14-15,18-20,23-24H,5,8-9H2/t14-,15+,18+,19-,20?
InChIKeyBCEYJVAFQXRMHC-VBQSYWCGSA-N
MW362.30 g/mol
LogP5.16
Rot. Bonds2

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

(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 15685656) has the molecular formula C20H21Cl2NO and a molecular weight of 362.30 g/mol. Its IUPAC name is (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID15685656
Molecular FormulaC20H21Cl2NO
Molecular Weight362.30 g/mol
Exact Mass361.10
IUPAC Name(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol
SMILESOC1[C@H]2CCC[C@@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl
InChIInChI=1S/C20H21Cl2NO/c21-16-10-3-1-6-12(16)18-14-8-5-9-15(20(14)24)19(23-18)13-7-2-4-11-17(13)22/h1-4,6-7,10-11,14-15,18-20,23-24H,5,8-9H2/t14-,15+,18+,19-,20?
InChIKeyBCEYJVAFQXRMHC-VBQSYWCGSA-N
XLogP5.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.30
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-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

6-(2-chlorophenyl)piperidin-2-ol
CID 117168260
cis-(1S,2S)-2-(2-chlorophenyl)cyclopentan-1-ol
CID 94503761
cis-(1R,2R)-2-(2-chlorophenyl)cyclopentan-1-amine
CID 94869146
2-(2-chlorophenyl)piperidin-3-amine
CID 82126789
(NE)-N-[2,4-bis(2-chlorophenyl)-1-methyl-3-azabicyclo[3.3.1]nonan-9-ylidene]hydroxylamine
CID 46880477
7-(2-chlorophenyl)bicyclo[2.2.1]heptane
CID 10262419
4-amino-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82284114
1-chloro-2-(3-chlorocyclohexyl)benzene
CID 64513324
(1R,2R,4S,5S)-3-methyl-2,4-bis(2-methylphenyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 15685658
(2S)-2-(2-chlorophenyl)cyclobutan-1-one
CID 95240660
5-(2-chlorophenyl)pyrrolidin-3-ol;hydrochloride
CID 115039948
[2-(2-chlorophenyl)piperidin-4-yl]methanol
CID 105483517

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol (CID 15685656) is (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol is OC1[C@H]2CCC[C@@H]1[C@H](c1ccccc1Cl)N[C@@H]2c1ccccc1Cl.
What is the InChIKey of (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is BCEYJVAFQXRMHC-VBQSYWCGSA-N. The full InChI is InChI=1S/C20H21Cl2NO/c21-16-10-3-1-6-12(16)18-14-8-5-9-15(20(14)24)19(23-18)13-7-2-4-11-17(13)22/h1-4,6-7,10-11,14-15,18-20,23-24H,5,8-9H2/t14-,15+,18+,19-,20?.
What are the key properties of (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol?
(1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 362.30 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R,5R)-2,4-bis(2-chlorophenyl)-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 15685656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).