2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

C14H17Cl2NO — CID 110539258

IUPAC2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7,10,13-14,18H,3-6,8H2
InChIKeyPKRAZMNQFKMAQB-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.99
Rot. Bonds2

About 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol

2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 110539258) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID110539258
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C2CCN(CC2)C1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H17Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7,10,13-14,18H,3-6,8H2
InChIKeyPKRAZMNQFKMAQB-UHFFFAOYSA-N
XLogP2.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2-benzyl-1-azabicyclo[2.2.2]octan-3-ol
CID 11042184
3-[(3,4-dichlorophenyl)methyl]-1-propylpiperidin-4-ol
CID 110538491
4-tert-butyl-2-[(3,4-dichlorophenyl)methyl]cyclohexan-1-ol
CID 63461445
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-one
CID 10848723
1,2-dichloro-4-[(2-chlorocyclohexyl)methyl]benzene
CID 63461674
N-[(3,4-dichlorophenyl)methyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 43752203
[1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidin-2-yl]methanol
CID 102788541
N-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158967
1-[(3,4-dichlorophenyl)methyl]-4-methylpiperidine
CID 22197662
3-[(3,4-dichlorophenyl)methyl]pyrrolidine
CID 82158944
1,2-dichloro-4-[(4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025309

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol (CID 110539258) is 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol is OC1C2CCN(CC2)C1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is PKRAZMNQFKMAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c15-11-2-1-9(7-12(11)16)8-13-14(18)10-3-5-17(13)6-4-10/h1-2,7,10,13-14,18H,3-6,8H2.
What are the key properties of 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol?
2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 286.20 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dichlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 110539258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).