2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

C16H24N2O — CID 83913342

IUPAC2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESNC1(CCO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H24N2O/c17-16(8-9-19)10-14-6-7-15(11-16)18(14)12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12,17H2
InChIKeyYGZCTGACXBPBJY-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.89
Rot. Bonds4

About 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol

2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (PubChem CID 83913342) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
PubChem CID83913342
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
SMILESNC1(CCO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C16H24N2O/c17-16(8-9-19)10-14-6-7-15(11-16)18(14)12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12,17H2
InChIKeyYGZCTGACXBPBJY-UHFFFAOYSA-N
XLogP1.89
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol with MolForge

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Related Compounds

(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 82667479
(1S,5S)-3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 98052462
3-amino-8-benzyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 66774815
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
8'-benzylspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
CID 85186782
[(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 98113722
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
CID 171936921
8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The IUPAC name of 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol (CID 83913342) is 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol.
What is the SMILES notation for 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The canonical SMILES for 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is NC1(CCO)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
The InChIKey is YGZCTGACXBPBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-16(8-9-19)10-14-6-7-15(11-16)18(14)12-13-4-2-1-3-5-13/h1-5,14-15,19H,6-12,17H2.
What are the key properties of 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol?
2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol has a molecular weight of 260.38 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol is sourced from PubChem (CID 83913342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).