8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

C16H24N2O — CID 103958938

IUPAC8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC[C@@H](N)c1ccccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C16H24N2O/c1-2-15(17)14-5-3-4-6-16(14)18-11-7-8-12(18)10-13(19)9-11/h3-6,11-13,15,19H,2,7-10,17H2,1H3/t11?,12?,13?,15-/m1/s1
InChIKeyKKLJGSLNLXSZIA-CDKPOMLUSA-N
MW260.38 g/mol
LogP2.59
Rot. Bonds3

About 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 103958938) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID103958938
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC[C@@H](N)c1ccccc1N1C2CCC1CC(O)C2
InChIInChI=1S/C16H24N2O/c1-2-15(17)14-5-3-4-6-16(14)18-11-7-8-12(18)10-13(19)9-11/h3-6,11-13,15,19H,2,7-10,17H2,1H3/t11?,12?,13?,15-/m1/s1
InChIKeyKKLJGSLNLXSZIA-CDKPOMLUSA-N
XLogP2.59
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-[2-[1-(methylamino)ethyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63762238
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
8-[2-amino-1-(2-methylphenyl)butyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763923
3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
1-[2-[(1S)-1-aminopropyl]phenyl]-4-methylpiperidin-4-ol
CID 103959062
(1S)-1-[2-(azepan-1-yl)phenyl]propan-1-amine
CID 103958428
(1R)-1-[2-(2-ethylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 103958582
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 103958938) is 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is CC[C@@H](N)c1ccccc1N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is KKLJGSLNLXSZIA-CDKPOMLUSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-15(17)14-5-3-4-6-16(14)18-11-7-8-12(18)10-13(19)9-11/h3-6,11-13,15,19H,2,7-10,17H2,1H3/t11?,12?,13?,15-/m1/s1.
What are the key properties of 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 260.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(1R)-1-aminopropyl]phenyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 103958938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).