N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine

C17H26N2O2 — CID 66370228

IUPACN-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC3CCC(C2)O3)c1
InChIInChI=1S/C17H26N2O2/c1-2-18-11-14-4-3-5-15(10-14)20-9-8-19-12-16-6-7-17(13-19)21-16/h3-5,10,16-18H,2,6-9,11-13H2,1H3
InChIKeyNSSPBPKWPAJDAS-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.04
Rot. Bonds7

About N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine

N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine (PubChem CID 66370228) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
PubChem CID66370228
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCN2CC3CCC(C2)O3)c1
InChIInChI=1S/C17H26N2O2/c1-2-18-11-14-4-3-5-15(10-14)20-9-8-19-12-16-6-7-17(13-19)21-16/h3-5,10,16-18H,2,6-9,11-13H2,1H3
InChIKeyNSSPBPKWPAJDAS-UHFFFAOYSA-N
XLogP2.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[3-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 115562202
N-[[3-[2-(3,5-dimethylpiperidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62423065
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
CID 66371224
N-[[3-[2-(2-ethyl-5-methylpyrrolidin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 83220271
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
N-[[3-[2-(3,4-dimethylpyrrolidin-1-yl)ethoxy]phenyl]methyl]cyclopropanamine
CID 79178291
N-[[3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62439724
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[[3-[2-(2-methylmorpholin-4-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438935
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
N-[[3-(2-ethoxyethoxy)phenyl]methyl]ethanamine
CID 43457063
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]propan-1-amine
CID 66370234

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine (CID 66370228) is N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine is CCNCc1cccc(OCCN2CC3CCC(C2)O3)c1.
What is the InChIKey of N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine?
The InChIKey is NSSPBPKWPAJDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-18-11-14-4-3-5-15(10-14)20-9-8-19-12-16-6-7-17(13-19)21-16/h3-5,10,16-18H,2,6-9,11-13H2,1H3.
What are the key properties of N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine?
N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine has a molecular weight of 290.41 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 66370228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).