2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol

C18H28N2O — CID 61231963

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
SMILESCCCN(CC(O)c1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2O/c1-2-10-20(13-18(21)14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)19-15/h3-7,15-19,21H,2,8-13H2,1H3
InChIKeyNTYGKJJQMJLCTO-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.71
Rot. Bonds6

About 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol

2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol (PubChem CID 61231963) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
PubChem CID61231963
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol
SMILESCCCN(CC(O)c1ccccc1)C1CC2CCC(C1)N2
InChIInChI=1S/C18H28N2O/c1-2-10-20(13-18(21)14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)19-15/h3-7,15-19,21H,2,8-13H2,1H3
InChIKeyNTYGKJJQMJLCTO-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870
N-[(2-chlorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231691
2-[butyl-(1,1-dioxothiolan-3-yl)amino]-1-phenylethanol
CID 111110027
N-ethyl-N-(1-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232068
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
(1R)-2-[cyclopropylmethyl(propyl)amino]-1-phenylethanol
CID 2416449
N-propyl-N-(2-pyridin-2-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61232143
N-benzyl-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231293
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanenitrile
CID 55135554
N-ethyl-N-(3-phenylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61233061

Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol (CID 61231963) is 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol is CCCN(CC(O)c1ccccc1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol?
The InChIKey is NTYGKJJQMJLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-2-10-20(13-18(21)14-6-4-3-5-7-14)17-11-15-8-9-16(12-17)19-15/h3-7,15-19,21H,2,8-13H2,1H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol?
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol has a molecular weight of 288.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-1-phenylethanol is sourced from PubChem (CID 61231963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).