1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

C16H24N2O2 — CID 66393253

IUPAC1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O2/c1-17-16(12-3-5-13(19-2)6-4-12)11-18-9-14-7-8-15(10-18)20-14/h3-6,14-17H,7-11H2,1-2H3
InChIKeyKXGAGWDXFNGVTG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.82
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66393253) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66393253
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1
InChIInChI=1S/C16H24N2O2/c1-17-16(12-3-5-13(19-2)6-4-12)11-18-9-14-7-8-15(10-18)20-14/h3-6,14-17H,7-11H2,1-2H3
InChIKeyKXGAGWDXFNGVTG-UHFFFAOYSA-N
XLogP1.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine 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

N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392491
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
CID 66372167
(2S)-1-[(2S)-2-(4-methoxyphenyl)-2-(methylamino)ethyl]pyrrolidin-2-ol
CID 139630400
1-(4-methoxyphenyl)-N-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65167486
2-(3,4-dimethylpyrrolidin-1-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 79188424
2-chloro-1-(4-methoxyphenyl)-N-methylethanamine
CID 116952568
2-(3,4-dimethoxypyrrolidin-1-yl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 103532454
1-(4-methoxyphenyl)-N-methylbutane-1,4-diamine
CID 116949257
N-methyl-1-(4-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537734
2-(3,5-dimethylpiperidin-1-yl)-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 63467078

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66393253) is 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is CNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is KXGAGWDXFNGVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-17-16(12-3-5-13(19-2)6-4-12)11-18-9-14-7-8-15(10-18)20-14/h3-6,14-17H,7-11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 276.38 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66393253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).