N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

C19H24N2O — CID 67924201

IUPACN-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)C2Cc2ccco2)cc1
InChIInChI=1S/C19H24N2O/c1-2-5-15(6-3-1)14-20-19-16-8-10-21(11-9-16)18(19)13-17-7-4-12-22-17/h1-7,12,16,18-20H,8-11,13-14H2
InChIKeyXGRVVTAMTYUOSU-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.07
Rot. Bonds5

About N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine

N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 67924201) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID67924201
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESc1ccc(CNC2C3CCN(CC3)C2Cc2ccco2)cc1
InChIInChI=1S/C19H24N2O/c1-2-5-15(6-3-1)14-20-19-16-8-10-21(11-9-16)18(19)13-17-7-4-12-22-17/h1-7,12,16,18-20H,8-11,13-14H2
InChIKeyXGRVVTAMTYUOSU-UHFFFAOYSA-N
XLogP3.07
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-2-benzyl-N-[(2-iodophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 155569480
(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 174907916
N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 57230995
1-benzyl-2-(furan-2-ylmethyl)pyrrolidine
CID 44596412
2-benzhydryl-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19811759
(2R,3S)-2-benzyl-1-azabicyclo[2.2.2]octan-3-ol
CID 11042184
(2S,3R)-2-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 99643394
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
N-(furan-2-ylmethyl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
CID 61240026
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
2-(furan-2-ylmethyl)-1-methylpyrrolidine-3-carboxylic acid
CID 112710160
(3S,4S)-1-benzyl-N-(furan-2-ylmethyl)-3-phenylpiperidin-4-amine
CID 124813938

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 67924201) is N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is c1ccc(CNC2C3CCN(CC3)C2Cc2ccco2)cc1.
What is the InChIKey of N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is XGRVVTAMTYUOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-2-5-15(6-3-1)14-20-19-16-8-10-21(11-9-16)18(19)13-17-7-4-12-22-17/h1-7,12,16,18-20H,8-11,13-14H2.
What are the key properties of N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 296.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(furan-2-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 67924201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).