(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol

C15H21NO — CID 100967230

IUPAC(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol
SMILESC[C@H](O)C1C2CCC(C2)N1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-11(17)15-13-7-8-14(9-13)16(15)10-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3/t11-,13?,14?,15?/m0/s1
InChIKeyRWRLAKQFRLGALM-WXPVAWKNSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds3

About (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol

(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol (PubChem CID 100967230) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol
PubChem CID100967230
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol
SMILESC[C@H](O)C1C2CCC(C2)N1Cc1ccccc1
InChIInChI=1S/C15H21NO/c1-11(17)15-13-7-8-14(9-13)16(15)10-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3/t11-,13?,14?,15?/m0/s1
InChIKeyRWRLAKQFRLGALM-WXPVAWKNSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol?
The IUPAC name of (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol (CID 100967230) is (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol.
What is the SMILES notation for (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol?
The canonical SMILES for (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol is C[C@H](O)C1C2CCC(C2)N1Cc1ccccc1.
What is the InChIKey of (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol?
The InChIKey is RWRLAKQFRLGALM-WXPVAWKNSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(17)15-13-7-8-14(9-13)16(15)10-12-5-3-2-4-6-12/h2-6,11,13-15,17H,7-10H2,1H3/t11-,13?,14?,15?/m0/s1.
What are the key properties of (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol?
(1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol has a molecular weight of 231.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-benzyl-2-azabicyclo[2.2.1]heptan-3-yl)ethanol is sourced from PubChem (CID 100967230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).