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

C17H26N2O2 — CID 66392491

IUPACN-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-18-17(13-4-6-14(20-2)7-5-13)12-19-10-15-8-9-16(11-19)21-15/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyFEWLJXJORXMWQT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.21
Rot. Bonds6

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

N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66392491) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66392491
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESCCNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-18-17(13-4-6-14(20-2)7-5-13)12-19-10-15-8-9-16(11-19)21-15/h4-7,15-18H,3,8-12H2,1-2H3
InChIKeyFEWLJXJORXMWQT-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-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine with MolForge

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Related Compounds

1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
N-ethyl-1-(2-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66392876
2-cyclobutyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 65458581
2-cyclopentylsulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64628145
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
N-ethyl-1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774226
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-ethyl-1-(4-methoxyphenyl)hex-4-yn-1-amine
CID 104804297
N-(cyclopropylmethyl)-1-(4-methoxyphenyl)propan-1-amine
CID 43190722
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
methyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65235012

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66392491) is N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is CCNC(CN1CC2CCC(C1)O2)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is FEWLJXJORXMWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-18-17(13-4-6-14(20-2)7-5-13)12-19-10-15-8-9-16(11-19)21-15/h4-7,15-18H,3,8-12H2,1-2H3.
What are the key properties of N-ethyl-1-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
N-ethyl-1-(4-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-(4-methoxyphenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66392491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).