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

C18H28N2O — CID 62713433

IUPAC9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(OC)c1
InChIInChI=1S/C18H28N2O/c1-3-10-19-14-11-15-6-4-7-16(12-14)20(15)17-8-5-9-18(13-17)21-2/h5,8-9,13-16,19H,3-4,6-7,10-12H2,1-2H3
InChIKeyIKIJGIPRHKIBPU-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.58
Rot. Bonds5

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

9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62713433) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62713433
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2c1cccc(OC)c1
InChIInChI=1S/C18H28N2O/c1-3-10-19-14-11-15-6-4-7-16(12-14)20(15)17-8-5-9-18(13-17)21-2/h5,8-9,13-16,19H,3-4,6-7,10-12H2,1-2H3
InChIKeyIKIJGIPRHKIBPU-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-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 55106268
3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712900
9-(2-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713435
9-(3-bromo-5-methoxyphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 82859648
9-(2,3-dimethylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714500
3-[3-(ethylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzonitrile
CID 62712716
8-(2,6-dimethylphenyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62738579
9-(2-methylsulfanylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 107646036
9-(5-fluoro-2-methylphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714679
N-ethyl-8-(3-methylphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740321
9-(3-chloro-4-methylphenyl)-N-ethyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62713793
N-ethyl-9-(6-methoxy-3-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712529

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62713433) is 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2c1cccc(OC)c1.
What is the InChIKey of 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is IKIJGIPRHKIBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-3-10-19-14-11-15-6-4-7-16(12-14)20(15)17-8-5-9-18(13-17)21-2/h5,8-9,13-16,19H,3-4,6-7,10-12H2,1-2H3.
What are the key properties of 9-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-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-(3-methoxyphenyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62713433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).