8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol

C21H26N2O2 — CID 69428909

IUPAC8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
SMILESCOc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(N)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-15(6-10-20)12-23-13-17-7-8-18(14-23)21(17,24)16-3-2-4-19(22)11-16/h2-6,9-11,17-18,24H,7-8,12-14,22H2,1H3
InChIKeyRDWZJYOBURYWOH-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.01
Rot. Bonds4

About 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol

8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol (PubChem CID 69428909) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
PubChem CID69428909
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
SMILESCOc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(N)c2)cc1
InChIInChI=1S/C21H26N2O2/c1-25-20-9-5-15(6-10-20)12-23-13-17-7-8-18(14-23)21(17,24)16-3-2-4-19(22)11-16/h2-6,9-11,17-18,24H,7-8,12-14,22H2,1H3
InChIKeyRDWZJYOBURYWOH-UHFFFAOYSA-N
XLogP3.01
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-(3-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol
CID 69431075
8-(3-aminophenyl)-3-(pyridin-3-ylmethyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 69430584
(1S,5S)-3-[(3-methoxyphenyl)methyl]-9-pyridin-3-yl-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063834
3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]aniline
CID 28800345
(1R,5S)-3-[(4-methoxyphenyl)methyl]-9-(5-methyl-2-pyridinyl)-3-azabicyclo[3.3.1]nonan-9-ol
CID 92559130
9-(2,4-diethoxypyrimidin-5-yl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 110216520
(1R,5R)-9-(2,4-diethoxypyrimidin-5-yl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98064182
9-(4-methoxyphenyl)-3-[(2-propylpyrimidin-5-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 16673924
N-[3-[8-hydroxy-3-[(4-pyrrolidin-1-ylphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-methoxyethanesulfonamide
CID 91508867
(1R,5S)-3-benzyl-8-(4-chlorophenyl)-3-azabicyclo[3.2.1]octan-8-ol
CID 10969498
(2S,6R)-2,4-dibenzyl-6-[(4-methoxyphenyl)methyl]-1-phenylpiperazine
CID 102380045
(3S,4R)-4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 46944572

Frequently Asked Questions

What is the IUPAC name of 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol (CID 69428909) is 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol is COc1ccc(CN2CC3CCC(C2)C3(O)c2cccc(N)c2)cc1.
What is the InChIKey of 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
The InChIKey is RDWZJYOBURYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-25-20-9-5-15(6-10-20)12-23-13-17-7-8-18(14-23)21(17,24)16-3-2-4-19(22)11-16/h2-6,9-11,17-18,24H,7-8,12-14,22H2,1H3.
What are the key properties of 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol?
8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol has a molecular weight of 338.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-aminophenyl)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 69428909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).