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

C17H26N2O2 — CID 66392876

IUPACN-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(CN1CC2CCC(C1)O2)c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-3-18-16(15-6-4-5-7-17(15)20-2)12-19-10-13-8-9-14(11-19)21-13/h4-7,13-14,16,18H,3,8-12H2,1-2H3
InChIKeyQTJCOQAFDICVGS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds6

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

N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66392876) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66392876
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(CN1CC2CCC(C1)O2)c1ccccc1OC
InChIInChI=1S/C17H26N2O2/c1-3-18-16(15-6-4-5-7-17(15)20-2)12-19-10-13-8-9-14(11-19)21-13/h4-7,13-14,16,18H,3,8-12H2,1-2H3
InChIKeyQTJCOQAFDICVGS-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392491
2-cyclopropyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64904236
N-ethyl-1-(2-methoxyphenyl)-3-(oxolan-2-yl)propan-1-amine
CID 65166709
2-cycloheptyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 115793056
N-ethyl-2-[3-(methoxymethyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanamine
CID 64569899
N-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 62066193
N-ethyl-1-(2-methylphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537943
2-cyclopentylsulfanyl-N-ethyl-1-(2-methoxyphenyl)ethanamine
CID 64628412
N-ethyl-4,4,4-trifluoro-1-(2-methoxyphenyl)butan-1-amine
CID 64567616
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
N-(cyclopropylmethyl)-1-(2-methoxyphenyl)propan-1-amine
CID 43693519
N-ethyl-3-methoxy-1-(2-methoxyphenyl)-3-methylbutan-1-amine
CID 103024885

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66392876) is N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is CCNC(CN1CC2CCC(C1)O2)c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is QTJCOQAFDICVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18-16(15-6-4-5-7-17(15)20-2)12-19-10-13-8-9-14(11-19)21-13/h4-7,13-14,16,18H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66392876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).