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

C17H26N2O — CID 63763409

IUPAC8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C(C(C)N)N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C17H26N2O/c1-11-4-3-5-13(8-11)17(12(2)18)19-14-6-7-15(19)10-16(20)9-14/h3-5,8,12,14-17,20H,6-7,9-10,18H2,1-2H3
InChIKeyLCHAWQFRRQZVCV-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.37
Rot. Bonds3

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

8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63763409) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63763409
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCc1cccc(C(C(C)N)N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C17H26N2O/c1-11-4-3-5-13(8-11)17(12(2)18)19-14-6-7-15(19)10-16(20)9-14/h3-5,8,12,14-17,20H,6-7,9-10,18H2,1-2H3
InChIKeyLCHAWQFRRQZVCV-UHFFFAOYSA-N
XLogP2.37
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764643
1-(2-azabicyclo[2.2.1]heptan-2-yl)-1-(3-methylphenyl)propan-2-amine
CID 55020075
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764296
4-[2-amino-1-(3-methylphenyl)propyl]piperazine-2,6-dione
CID 66085437
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)propan-2-amine
CID 83053735
(S)-cyclopropyl-(3-methylphenyl)methanamine;hydrochloride
CID 171229489
8-(2-amino-1-thiophen-3-ylbutyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 55243566
1-[3-amino-3-(3-methylphenyl)propyl]pyrrolidin-3-ol
CID 62941921
2-(3-aminophenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 106591460

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63763409) is 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol is Cc1cccc(C(C(C)N)N2C3CCC2CC(O)C3)c1.
What is the InChIKey of 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is LCHAWQFRRQZVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-11-4-3-5-13(8-11)17(12(2)18)19-14-6-7-15(19)10-16(20)9-14/h3-5,8,12,14-17,20H,6-7,9-10,18H2,1-2H3.
What are the key properties of 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 274.41 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-1-(3-methylphenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63763409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).