9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H28N2O — CID 62713435

IUPAC9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1ccccc1OC
InChIInChI=1S/C18H28N2O/c1-3-11-19-14-12-15-7-6-8-16(13-14)20(15)17-9-4-5-10-18(17)21-2/h4-5,9-10,14-16,19H,3,6-8,11-13H2,1-2H3
InChIKeyNBWVQBLOIPUHAB-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.58
Rot. Bonds5

About 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine

9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713435) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713435
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1ccccc1OC
InChIInChI=1S/C18H28N2O/c1-3-11-19-14-12-15-7-6-8-16(13-14)20(15)17-9-4-5-10-18(17)21-2/h4-5,9-10,14-16,19H,3,6-8,11-13H2,1-2H3
InChIKeyNBWVQBLOIPUHAB-UHFFFAOYSA-N
XLogP3.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
8-(5-bromo-2-methoxyphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62740382
9-(2,3-difluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713644
9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713433
8-(2-bromophenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62739604
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
9-(2-bromo-5-fluorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107639383
9-(4-chloro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714698
9-(2-bromo-4-chlorophenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 81256584
2-methyl-6-[3-(propylamino)-8-azabicyclo[3.2.1]octan-8-yl]benzonitrile
CID 107801539
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579

Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713435) is 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2c1ccccc1OC.
What is the InChIKey of 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is NBWVQBLOIPUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-11-19-14-12-15-7-6-8-16(13-14)20(15)17-9-4-5-10-18(17)21-2/h4-5,9-10,14-16,19H,3,6-8,11-13H2,1-2H3.
What are the key properties of 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 288.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).