2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone

C18H26N2O2 — CID 171153351

IUPAC2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESNCCOc1cccc(CC(=O)N2CC3CCCC(C3)C2)c1
InChIInChI=1S/C18H26N2O2/c19-7-8-22-17-6-2-3-14(10-17)11-18(21)20-12-15-4-1-5-16(9-15)13-20/h2-3,6,10,15-16H,1,4-5,7-9,11-13,19H2
InChIKeyDDYNGJABYXJVMF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.22
Rot. Bonds5

About 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone

2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone (PubChem CID 171153351) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone.

Molecular Properties

Compound Name2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
PubChem CID171153351
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone
SMILESNCCOc1cccc(CC(=O)N2CC3CCCC(C3)C2)c1
InChIInChI=1S/C18H26N2O2/c19-7-8-22-17-6-2-3-14(10-17)11-18(21)20-12-15-4-1-5-16(9-15)13-20/h2-3,6,10,15-16H,1,4-5,7-9,11-13,19H2
InChIKeyDDYNGJABYXJVMF-UHFFFAOYSA-N
XLogP2.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone 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

2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(methylsulfonylmethyl)piperidin-1-yl]ethanone
CID 126450881
N-[(3aS,5R,6R,7aR)-2-[2-[3-(2-aminoethoxy)phenyl]acetyl]-6-(cyclopropylmethoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172669358
2-[3-(2-aminoethoxy)phenyl]-1-[(2S,6R)-2-cyclopropyl-6-phenylmorpholin-4-yl]ethanone;hydrochloride
CID 155938808
2-[3-(2-aminoethoxy)phenyl]-1-[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 171712197
2-[3-(2-aminoethoxy)phenyl]-1-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
CID 126436200
2-[3-(2-aminoethoxy)phenyl]-1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]ethanone
CID 126427678
acetic acid;2-[3-(2-aminoethoxy)phenyl]-1-[2-(piperidin-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 154906782
2-[3-(2-aminoethoxy)phenyl]-N-[(3R)-1-methyl-6-oxopiperidin-3-yl]acetamide
CID 126442191
2-[3-(2-aminoethoxy)phenyl]-1-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 118773564
2-[3-(2-aminoethoxy)phenyl]-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 164689674
2-[3-(2-aminoethoxy)phenyl]-1-[2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 118765592
1-[(3R,5S)-3,5-diaminopiperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 118550657

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The IUPAC name of 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone (CID 171153351) is 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone.
What is the SMILES notation for 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The canonical SMILES for 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone is NCCOc1cccc(CC(=O)N2CC3CCCC(C3)C2)c1.
What is the InChIKey of 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
The InChIKey is DDYNGJABYXJVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c19-7-8-22-17-6-2-3-14(10-17)11-18(21)20-12-15-4-1-5-16(9-15)13-20/h2-3,6,10,15-16H,1,4-5,7-9,11-13,19H2.
What are the key properties of 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone?
2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone has a molecular weight of 302.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminoethoxy)phenyl]-1-(3-azabicyclo[3.3.1]nonan-3-yl)ethanone is sourced from PubChem (CID 171153351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).