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

C15H20ClNO — CID 112680913

IUPAC(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(C(O)c1ccccc1Cl)C2
InChIInChI=1S/C15H20ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12,15,18H,6-9H2,1H3
InChIKeyZITUEZWGPOLQBV-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.25
Rot. Bonds2

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

(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (PubChem CID 112680913) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.

Molecular Properties

Compound Name(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
PubChem CID112680913
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESCN1C2CCC1CC(C(O)c1ccccc1Cl)C2
InChIInChI=1S/C15H20ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12,15,18H,6-9H2,1H3
InChIKeyZITUEZWGPOLQBV-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
1-(2-chlorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 112681183
(3-bromo-2-fluorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 106645178
(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
(2-chlorophenyl)-(2-methylcyclopropyl)methanol
CID 65421692
(2-chlorophenyl)-(oxolan-3-yl)methanol
CID 63564171
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 112680607
N-[1-(2-chlorophenyl)ethyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471035
cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
2-[hydroxy-(1-methylpiperidin-4-yl)methyl]phenol
CID 83855930
1-(2-chlorophenyl)-3-(4-cyclopropylpiperazin-1-yl)propan-1-ol
CID 62630518
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The IUPAC name of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (CID 112680913) is (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.
What is the SMILES notation for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The canonical SMILES for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is CN1C2CCC1CC(C(O)c1ccccc1Cl)C2.
What is the InChIKey of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The InChIKey is ZITUEZWGPOLQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17-11-6-7-12(17)9-10(8-11)15(18)13-4-2-3-5-14(13)16/h2-5,10-12,15,18H,6-9H2,1H3.
What are the key properties of (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
(2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol has a molecular weight of 265.78 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is sourced from PubChem (CID 112680913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).