(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2O — CID 154598891

IUPAC(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(CN2[C@@]3(C)CCC[C@]2(C)CC(N)C3)cc1
InChIInChI=1S/C18H28N2O/c1-17-9-4-10-18(2,12-15(19)11-17)20(17)13-14-5-7-16(21-3)8-6-14/h5-8,15H,4,9-13,19H2,1-3H3/t15?,17-,18+
InChIKeySODAPDMYXBTZMZ-ZNXRZULTSA-N
MW288.44 g/mol
LogP3.32
Rot. Bonds3

About (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine

(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 154598891) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID154598891
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCOc1ccc(CN2[C@@]3(C)CCC[C@]2(C)CC(N)C3)cc1
InChIInChI=1S/C18H28N2O/c1-17-9-4-10-18(2,12-15(19)11-17)20(17)13-14-5-7-16(21-3)8-6-14/h5-8,15H,4,9-13,19H2,1-3H3/t15?,17-,18+
InChIKeySODAPDMYXBTZMZ-ZNXRZULTSA-N
XLogP3.32
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine 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

(1S,5R)-N-(6-chloropyridazin-3-yl)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 154983376
(1S,2S,5R)-2-fluoro-9-[(4-methoxyphenyl)methyl]-N,1,5-trimethyl-9-azabicyclo[3.3.1]nonan-3-imine
CID 167369064
2-[(4-methoxyphenyl)methyl]-2-methylcyclopropan-1-amine;hydrochloride
CID 71756717
1-[(4-methoxyphenyl)methyl]-4-[(2,2,6,6-tetramethylpiperidin-1-yl)oxymethyl]pyrrolidin-2-one
CID 11068798
3-amino-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-one
CID 129101227
[(3R,8aR)-2-[(4-methoxyphenyl)methyl]-8a-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazin-3-yl]methanol
CID 95735480
1,4,7-tris[(4-methoxyphenyl)methyl]-1,4,7-triazecane
CID 66887441
2-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212970
1-[2-(2-cyclopropyl-2-methylcyclopentyl)ethyl]-4-methoxybenzene
CID 172994437
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
methyl 5-[(4-methoxyphenyl)methyl]-7-oxo-5-azaspiro[3.4]octane-8-carboxylate
CID 164871257
(3R)-1-[(4-methoxyphenyl)methyl]-4,4-dimethylpyrrolidin-3-ol
CID 129349125

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 154598891) is (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine is COc1ccc(CN2[C@@]3(C)CCC[C@]2(C)CC(N)C3)cc1.
What is the InChIKey of (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SODAPDMYXBTZMZ-ZNXRZULTSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17-9-4-10-18(2,12-15(19)11-17)20(17)13-14-5-7-16(21-3)8-6-14/h5-8,15H,4,9-13,19H2,1-3H3/t15?,17-,18+.
What are the key properties of (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine?
(1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-[(4-methoxyphenyl)methyl]-1,5-dimethyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 154598891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).