8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C14H18ClNO — CID 63769607

IUPAC8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO/c15-14-4-2-1-3-10(14)9-16-11-5-6-12(16)8-13(17)7-11/h1-4,11-13,17H,5-9H2
InChIKeyFAXLDMMEWQZDOA-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.83
Rot. Bonds2

About 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769607) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769607
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccccc1Cl
InChIInChI=1S/C14H18ClNO/c15-14-4-2-1-3-10(14)9-16-11-5-6-12(16)8-13(17)7-11/h1-4,11-13,17H,5-9H2
InChIKeyFAXLDMMEWQZDOA-UHFFFAOYSA-N
XLogP2.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5S)-9-[(2,6-dichlorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162634414
8-[(4-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55236052
3-chloro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzenecarboximidamide
CID 102667935
8-[(2,3-dichlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61232920
8-[(4-aminophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 55243758
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
8-(3-chloro-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63768873
N-(2,3-dichlorophenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 63768892
1-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylbut-2-en-1-one
CID 171938309
8-[(6-amino-2-pyridinyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 79234642
8-[(5-fluoroquinolin-8-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770132
3-fluoro-4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]benzamide
CID 63769254

Frequently Asked Questions

What is the IUPAC name of 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769607) is 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1ccccc1Cl.
What is the InChIKey of 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is FAXLDMMEWQZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c15-14-4-2-1-3-10(14)9-16-11-5-6-12(16)8-13(17)7-11/h1-4,11-13,17H,5-9H2.
What are the key properties of 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.76 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).