8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol

C18H28N2O — CID 63763923

IUPAC8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(c1ccccc1C)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H28N2O/c1-3-17(19)18(16-7-5-4-6-12(16)2)20-13-8-9-14(20)11-15(21)10-13/h4-7,13-15,17-18,21H,3,8-11,19H2,1-2H3
InChIKeyQPCMPUBJGPSTFI-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.76
Rot. Bonds4

About 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763923) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763923
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCC(N)C(c1ccccc1C)N1C2CCC1CC(O)C2
InChIInChI=1S/C18H28N2O/c1-3-17(19)18(16-7-5-4-6-12(16)2)20-13-8-9-14(20)11-15(21)10-13/h4-7,13-15,17-18,21H,3,8-11,19H2,1-2H3
InChIKeyQPCMPUBJGPSTFI-UHFFFAOYSA-N
XLogP2.76
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

1-[2-amino-1-(2-methylphenyl)butyl]-4-methylpiperidin-3-ol
CID 102956063
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
[1-[2-amino-1-(2-methylphenyl)butyl]pyrrolidin-3-yl]methanol
CID 112624390
1-(3-methoxy-4-methylpiperidin-1-yl)-1-(2-methylphenyl)butan-2-amine
CID 102956236
8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 103958938
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-methylphenyl)butan-2-amine
CID 79928846
[1-[2-amino-1-(2-methylphenyl)butyl]azepan-2-yl]methanol
CID 116634160
1-[2-amino-1-(2-methylphenyl)propyl]piperidin-4-ol
CID 55017840
[4-[2-amino-1-(2-methylphenyl)butyl]-6-methylmorpholin-2-yl]methanol
CID 102932165
1-[2-amino-1-(2-methylphenyl)butyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81451104
8-(3-amino-1,1,1-trifluoropentan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763233
8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763409

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63763923) is 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol is CCC(N)C(c1ccccc1C)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is QPCMPUBJGPSTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-17(19)18(16-7-5-4-6-12(16)2)20-13-8-9-14(20)11-15(21)10-13/h4-7,13-15,17-18,21H,3,8-11,19H2,1-2H3.
What are the key properties of 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 288.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).