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

C17H26N2O — CID 82667479

IUPAC2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
SMILESNCC1(CCO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H26N2O/c18-13-17(8-9-20)10-15-6-7-16(11-17)19(15)12-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13,18H2
InChIKeyVWUPBPDMSLORMB-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.14
Rot. Bonds5

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

2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol (PubChem CID 82667479) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
PubChem CID82667479
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
SMILESNCC1(CCO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C17H26N2O/c18-13-17(8-9-20)10-15-6-7-16(11-17)19(15)12-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13,18H2
InChIKeyVWUPBPDMSLORMB-UHFFFAOYSA-N
XLogP2.14
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 82665053
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
8-benzyl-3-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 83825755
(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'-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
3-amino-9-benzyl-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 171936432
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-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The IUPAC name of 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol (CID 82667479) is 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol.
What is the SMILES notation for 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The canonical SMILES for 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol is NCC1(CCO)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
The InChIKey is VWUPBPDMSLORMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c18-13-17(8-9-20)10-15-6-7-16(11-17)19(15)12-14-4-2-1-3-5-14/h1-5,15-16,20H,6-13,18H2.
What are the key properties of 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol?
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol has a molecular weight of 274.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol is sourced from PubChem (CID 82667479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).