[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

C17H24N2O3 — CID 118777000

IUPAC[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCCN)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-10-13-5-6-14(11-16)19(13)17(20)12-3-2-4-15(9-12)22-8-7-18/h2-4,9,13-14,16H,5-8,10-11,18H2,1H3/t13-,14+,16?
InChIKeyWTIHJJHSQDZJSR-MZBDJJRSSA-N
MW304.39 g/mol
LogP1.81
Rot. Bonds5

About [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 118777000) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID118777000
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESCOC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCCN)c1
InChIInChI=1S/C17H24N2O3/c1-21-16-10-13-5-6-14(11-16)19(13)17(20)12-3-2-4-15(9-12)22-8-7-18/h2-4,9,13-14,16H,5-8,10-11,18H2,1H3/t13-,14+,16?
InChIKeyWTIHJJHSQDZJSR-MZBDJJRSSA-N
XLogP1.81
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
(3,4-dimethylphenyl)-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255429
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62921355
[3-(2-aminoethoxy)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 28761599
(3-methoxyphenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90590806
[(3aS,6aR)-5-phenylmethoxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[3-(2-aminoethoxy)phenyl]methanone
CID 155984245
[3-(2-aminoethoxy)phenyl]-[4-(4-methylphenyl)sulfanylpiperidin-1-yl]methanone
CID 119059044
(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)-thiophen-3-ylmethanone
CID 122243172
3-[2-[(3-methoxycyclobutyl)amino]ethoxy]benzoic acid
CID 114120000
(2S,3aS,7aR)-1-[3-(2-methoxyethoxy)benzoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125132884
[4-(4-fluorophenyl)phenyl]-(3-methoxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 122255284
[3-(2-aminoethoxy)phenyl]-[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]methanone
CID 126428666

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 118777000) is [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is COC1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCCN)c1.
What is the InChIKey of [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is WTIHJJHSQDZJSR-MZBDJJRSSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-16-10-13-5-6-14(11-16)19(13)17(20)12-3-2-4-15(9-12)22-8-7-18/h2-4,9,13-14,16H,5-8,10-11,18H2,1H3/t13-,14+,16?.
What are the key properties of [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
[3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 304.39 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)phenyl]-[(1R,5S)-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 118777000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).