3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol

C15H20ClNO — CID 55098468

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
SMILESOC(CCN1CC2CCC1C2)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO/c16-13-3-1-2-12(9-13)15(18)6-7-17-10-11-4-5-14(17)8-11/h1-3,9,11,14-15,18H,4-8,10H2
InChIKeyXTZYSGXBAHNCFI-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.25
Rot. Bonds4

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol

3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol (PubChem CID 55098468) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
PubChem CID55098468
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol
SMILESOC(CCN1CC2CCC1C2)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO/c16-13-3-1-2-12(9-13)15(18)6-7-17-10-11-4-5-14(17)8-11/h1-3,9,11,14-15,18H,4-8,10H2
InChIKeyXTZYSGXBAHNCFI-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1-(3-chlorophenyl)propan-1-ol
CID 102728352
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propan-1-ol
CID 102789664
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
N-[2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethyl]-N-[(3-chlorophenyl)methyl]cyclopropanamine
CID 91830249
1-(3-chlorophenyl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-1-ol
CID 83221627
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
1-(3-chlorophenyl)-3-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-ol
CID 82685637
1-(3-chlorophenyl)-3-(3-methoxypiperidin-1-yl)propan-1-ol
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1-(3-chlorophenyl)-3-[2-(hydroxymethyl)morpholin-4-yl]propan-1-ol
CID 81213880
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126033
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol (CID 55098468) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol is OC(CCN1CC2CCC1C2)c1cccc(Cl)c1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol?
The InChIKey is XTZYSGXBAHNCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c16-13-3-1-2-12(9-13)15(18)6-7-17-10-11-4-5-14(17)8-11/h1-3,9,11,14-15,18H,4-8,10H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol?
3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol has a molecular weight of 265.78 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-chlorophenyl)propan-1-ol is sourced from PubChem (CID 55098468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).