2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride

C16H23ClN2O2 — CID 120667028

IUPAC2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2C3CCC2CC(O)C3)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-2-4-11(5-3-10)15(17)16(20)18-12-6-7-13(18)9-14(19)8-12;/h2-5,12-15,19H,6-9,17H2,1H3;1H
InChIKeyRAINSHWRFLAWFU-UHFFFAOYSA-N
MW310.83 g/mol
LogP1.93
Rot. Bonds2

About 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride

2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 120667028) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID120667028
Molecular FormulaC16H23ClN2O2
Molecular Weight310.83 g/mol
Exact Mass310.14
IUPAC Name2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(C(N)C(=O)N2C3CCC2CC(O)C3)cc1.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-10-2-4-11(5-3-10)15(17)16(20)18-12-6-7-13(18)9-14(19)8-12;/h2-5,12-15,19H,6-9,17H2,1H3;1H
InChIKeyRAINSHWRFLAWFU-UHFFFAOYSA-N
XLogP1.93
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-phenylethanone
CID 55237223
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
(2S,4S)-1-[2-amino-2-(4-methylphenyl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 106312428
2-(2,5-dimethylphenyl)sulfanyl-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63763939
1-[(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-2,2-diphenylethanone
CID 98176888
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
8-[2-amino-1-(4-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63764296
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 76952496
2-amino-N-(1-cyclopropylpiperidin-4-yl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669508
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668435
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride (CID 120667028) is 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride is Cc1ccc(C(N)C(=O)N2C3CCC2CC(O)C3)cc1.Cl.
What is the InChIKey of 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is RAINSHWRFLAWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-10-2-4-11(5-3-10)15(17)16(20)18-12-6-7-13(18)9-14(19)8-12;/h2-5,12-15,19H,6-9,17H2,1H3;1H.
What are the key properties of 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120667028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).