N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

C24H32N2 — CID 57230995

IUPACN-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)C(c1ccccc1)C1C(NCc2ccccc2)C2CCN1CC2
InChIInChI=1S/C24H32N2/c1-18(2)22(20-11-7-4-8-12-20)24-23(21-13-15-26(24)16-14-21)25-17-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3
InChIKeyFWGPWAHTYSOESN-UHFFFAOYSA-N
MW348.53 g/mol
LogP4.68
Rot. Bonds6

About N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine

N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 57230995) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID57230995
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC NameN-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(C)C(c1ccccc1)C1C(NCc2ccccc2)C2CCN1CC2
InChIInChI=1S/C24H32N2/c1-18(2)22(20-11-7-4-8-12-20)24-23(21-13-15-26(24)16-14-21)25-17-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3
InChIKeyFWGPWAHTYSOESN-UHFFFAOYSA-N
XLogP4.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzhydryl-N-benzyl-1-azabicyclo[2.2.2]octan-3-amine
CID 174907916
2-benzhydryl-N-(pyridin-4-ylmethyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 19811759
methyl 4-[(S)-[(2R,3R)-3-(benzylamino)-1-azabicyclo[2.2.2]octan-2-yl]-phenylmethyl]benzoate
CID 67825948
(2R,3R)-N-benzyl-2-[(R)-(2,4-difluorophenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825521
N-benzyl-2-[phenyl-[3-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67825740
(2S,3R)-2-benzhydryl-N-[(2-ethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;hydrate
CID 67825610
N-[(2-methoxyphenyl)methyl]-2-[(2-methoxyphenyl)-phenylmethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67918767
2-benzhydryl-N-[(5-ethyl-2-methoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 10160487
2-benzhydryl-N-[(3-methoxythiophen-2-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 19811737
2-[[[(2S,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl]amino]methyl]pyridin-3-ol
CID 67825542
(3R)-2-benzhydryl-N-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 59045714
(2S,3S,4R)-2-benzhydryl-N-[(2-methylsulfanylphenyl)methyl]-1-azabicyclo[2.2.1]heptan-3-amine
CID 23376848

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine (CID 57230995) is N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is CC(C)C(c1ccccc1)C1C(NCc2ccccc2)C2CCN1CC2.
What is the InChIKey of N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is FWGPWAHTYSOESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2/c1-18(2)22(20-11-7-4-8-12-20)24-23(21-13-15-26(24)16-14-21)25-17-19-9-5-3-6-10-19/h3-12,18,21-25H,13-17H2,1-2H3.
What are the key properties of N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine?
N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 348.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-methyl-1-phenylpropyl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 57230995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).