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

C16H23ClN2O — CID 63764643

IUPAC8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(N)C(c1cccc(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H23ClN2O/c1-10(18)16(11-3-2-4-12(17)7-11)19-13-5-6-14(19)9-15(20)8-13/h2-4,7,10,13-16,20H,5-6,8-9,18H2,1H3
InChIKeySYQOQMKWLCUVGL-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.72
Rot. Bonds3

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

8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63764643) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63764643
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(N)C(c1cccc(Cl)c1)N1C2CCC1CC(O)C2
InChIInChI=1S/C16H23ClN2O/c1-10(18)16(11-3-2-4-12(17)7-11)19-13-5-6-14(19)9-15(20)8-13/h2-4,7,10,13-16,20H,5-6,8-9,18H2,1H3
InChIKeySYQOQMKWLCUVGL-UHFFFAOYSA-N
XLogP2.72
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

[1-[2-amino-1-(3-chlorophenyl)propyl]-3-methylpyrrolidin-2-yl]methanol
CID 102777829
8-[1-(3-chlorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740213
1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(3-chlorophenyl)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 63171714
1-(3-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-2-amine
CID 55019304
1-[2-amino-1-(3-chlorophenyl)propyl]pyrrolidine-2-carboxamide
CID 55019931
(1S,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743755
(1R,2S)-2-amino-1-(3-chlorophenyl)propan-1-ol
CID 28743759
1-(3-chlorophenyl)-1-(2-ethylpiperidin-1-yl)propan-2-amine
CID 55019306
8-(3-chlorophenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63764575
1-(3-chlorophenyl)-1-(2,2-dimethylmorpholin-4-yl)propan-2-amine
CID 55019551
1-(3-chlorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)propan-2-amine
CID 55019457

Frequently Asked Questions

What is the IUPAC name of 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63764643) is 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(N)C(c1cccc(Cl)c1)N1C2CCC1CC(O)C2.
What is the InChIKey of 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is SYQOQMKWLCUVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-10(18)16(11-3-2-4-12(17)7-11)19-13-5-6-14(19)9-15(20)8-13/h2-4,7,10,13-16,20H,5-6,8-9,18H2,1H3.
What are the key properties of 8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-amino-1-(3-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 294.83 g/mol, XLogP of 2.72, 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-chlorophenyl)propyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63764643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).