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

C16H24N2O — CID 55106268

IUPAC9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cccc(OC)c1
InChIInChI=1S/C16H24N2O/c1-17-12-9-13-5-3-6-14(10-12)18(13)15-7-4-8-16(11-15)19-2/h4,7-8,11-14,17H,3,5-6,9-10H2,1-2H3
InChIKeyFFNMYBSDGJEVPD-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds3

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

9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 55106268) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID55106268
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCNC1CC2CCCC(C1)N2c1cccc(OC)c1
InChIInChI=1S/C16H24N2O/c1-17-12-9-13-5-3-6-14(10-12)18(13)15-7-4-8-16(11-15)19-2/h4,7-8,11-14,17H,3,5-6,9-10H2,1-2H3
InChIKeyFFNMYBSDGJEVPD-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 55106268) is 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CNC1CC2CCCC(C1)N2c1cccc(OC)c1.
What is the InChIKey of 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is FFNMYBSDGJEVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-12-9-13-5-3-6-14(10-12)18(13)15-7-4-8-16(11-15)19-2/h4,7-8,11-14,17H,3,5-6,9-10H2,1-2H3.
What are the key properties of 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 260.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyphenyl)-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 55106268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).