8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane

C22H27N — CID 23381484

IUPAC8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N/c1-2-17-15-20-13-14-21(16-17)23(20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3
InChIKeyYZMGZTAVAVEPDT-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.43
Rot. Bonds4

About 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane

8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane (PubChem CID 23381484) has the molecular formula C22H27N and a molecular weight of 305.47 g/mol. Its IUPAC name is 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
PubChem CID23381484
Molecular FormulaC22H27N
Molecular Weight305.47 g/mol
Exact Mass305.21
IUPAC Name8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane
SMILESCCC1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H27N/c1-2-17-15-20-13-14-21(16-17)23(20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3
InChIKeyYZMGZTAVAVEPDT-UHFFFAOYSA-N
XLogP5.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-benzyl-3-ethyl-8-azabicyclo[3.2.1]octane
CID 123647586
1-benzhydryl-3-ethylpiperidine
CID 22970041
8-(3-methyl-1-phenylbutyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61231194
difluoromethylbenzene;ethylcyclopropane
CID 157034020
8-(2-methyl-1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63194011
3-[(1R,5S)-8-benzhydryl-8-azabicyclo[3.2.1]octan-3-yl]benzene-1,2-diamine
CID 66819594
3-(8-benzhydryl-8-azabicyclo[3.2.1]octan-3-yl)benzene-1,2-diamine
CID 66819595
[(1R,3S,4S)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 25324057
[(1S,3S,4R)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]heptan-3-yl]methanol
CID 102488734
1-(4-ethylcyclohexyl)ethylbenzene
CID 154060527
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl 2-amino-2-phenylacetate
CID 138483017
2-(3,4-dimethylcyclohexyl)-1-phenylethanol
CID 79423892

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane (CID 23381484) is 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane is CCC1CC2CCC(C1)N2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane?
The InChIKey is YZMGZTAVAVEPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N/c1-2-17-15-20-13-14-21(16-17)23(20)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20-22H,2,13-16H2,1H3.
What are the key properties of 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane?
8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane has a molecular weight of 305.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-3-ethyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 23381484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).