(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride

C13H17Cl2NO — CID 163219237

IUPAC(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
SMILESCC12CC(C1)[C@H]([C@H](O)c1cccc(Cl)c1)N2.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-13-6-9(7-13)11(15-13)12(16)8-3-2-4-10(14)5-8;/h2-5,9,11-12,15-16H,6-7H2,1H3;1H/t9?,11-,12-,13?;/m1./s1
InChIKeyJHBOXWOHGQONCG-MBWJOHGMSA-N
MW274.19 g/mol
LogP2.94
Rot. Bonds2

About (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride

(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride (PubChem CID 163219237) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
PubChem CID163219237
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride
SMILESCC12CC(C1)[C@H]([C@H](O)c1cccc(Cl)c1)N2.Cl
InChIInChI=1S/C13H16ClNO.ClH/c1-13-6-9(7-13)11(15-13)12(16)8-3-2-4-10(14)5-8;/h2-5,9,11-12,15-16H,6-7H2,1H3;1H/t9?,11-,12-,13?;/m1./s1
InChIKeyJHBOXWOHGQONCG-MBWJOHGMSA-N
XLogP2.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride with MolForge

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Related Compounds

(S)-(3-chlorophenyl)-[(3S)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol
CID 163219268
(R)-(3-chlorophenyl)-[(2R)-4,4-dimethylazetidin-2-yl]methanol
CID 155126922
(S)-(3-chlorophenyl)-(4-methyl-7-azabicyclo[2.2.1]heptan-1-yl)methanol;hydrochloride
CID 163219221
(Z)-but-2-enedioic acid;(S)-(3-chlorophenyl)-(4,4-dimethylazetidin-2-yl)methanol
CID 155127072
tert-butyl (4R)-4-[(R)-(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylazetidine-1-carboxylate
CID 162391381
(R)-(3-chlorophenyl)-[(1S,3S)-3-propylcyclohexyl]methanol;hydrochloride
CID 158363901
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
(3-chlorophenyl)-[(2R,6S)-6-propylpiperidin-2-yl]methanol;hydrochloride
CID 138473406
(3-chlorophenyl)-[(2R,5S)-5-propylpyrrolidin-2-yl]methanol
CID 170314593
1-[5-[(3-chlorophenyl)-hydroxymethyl]-2-propanoylpyrrolidin-2-yl]propan-1-one
CID 70517621
(6R)-6-[(3-chlorophenyl)-hydroxymethyl]-2,2-dimethylpiperidine-1-carboxylic acid
CID 155126957
(3-chlorophenyl)methanediol
CID 20679602

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride?
The IUPAC name of (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride (CID 163219237) is (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride.
What is the SMILES notation for (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride?
The canonical SMILES for (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride is CC12CC(C1)[C@H]([C@H](O)c1cccc(Cl)c1)N2.Cl.
What is the InChIKey of (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride?
The InChIKey is JHBOXWOHGQONCG-MBWJOHGMSA-N. The full InChI is InChI=1S/C13H16ClNO.ClH/c1-13-6-9(7-13)11(15-13)12(16)8-3-2-4-10(14)5-8;/h2-5,9,11-12,15-16H,6-7H2,1H3;1H/t9?,11-,12-,13?;/m1./s1.
What are the key properties of (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride?
(R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride has a molecular weight of 274.19 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chlorophenyl)-[(3R)-1-methyl-2-azabicyclo[2.1.1]hexan-3-yl]methanol;hydrochloride is sourced from PubChem (CID 163219237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).