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

C15H22N2O — CID 82665053

IUPAC(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESNC1(CO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C15H22N2O/c16-15(11-18)8-13-6-7-14(9-15)17(13)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11,16H2
InChIKeyRCTIFQNFVBPDRS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.50
Rot. Bonds3

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

(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (PubChem CID 82665053) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.

Molecular Properties

Compound Name(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
PubChem CID82665053
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
SMILESNC1(CO)CC2CCC(C1)N2Cc1ccccc1
InChIInChI=1S/C15H22N2O/c16-15(11-18)8-13-6-7-14(9-15)17(13)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11,16H2
InChIKeyRCTIFQNFVBPDRS-UHFFFAOYSA-N
XLogP1.50
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 83913342
(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
2-[3-(aminomethyl)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]ethanol
CID 82667479
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
8-benzyl-3-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962172
9-benzyl-4,4-difluoro-9-azabicyclo[4.2.1]nonan-3-ol
CID 171936921
(1R,5R)-8-benzyl-8-azabicyclo[3.2.1]octan-3-amine
CID 12832104

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The IUPAC name of (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol (CID 82665053) is (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol.
What is the SMILES notation for (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The canonical SMILES for (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is NC1(CO)CC2CCC(C1)N2Cc1ccccc1.
What is the InChIKey of (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
The InChIKey is RCTIFQNFVBPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c16-15(11-18)8-13-6-7-14(9-15)17(13)10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11,16H2.
What are the key properties of (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol?
(3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)methanol is sourced from PubChem (CID 82665053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).