N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine

C16H24N2O — CID 66371224

IUPACN-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H24N2O/c1-2-17-9-13-4-3-5-14(8-13)10-18-11-15-6-7-16(12-18)19-15/h3-5,8,15-17H,2,6-7,9-12H2,1H3
InChIKeyVPBJHLVUIDIREJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.16
Rot. Bonds5

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

N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine (PubChem CID 66371224) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
PubChem CID66371224
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(CN2CC3CCC(C2)O3)c1
InChIInChI=1S/C16H24N2O/c1-2-17-9-13-4-3-5-14(8-13)10-18-11-15-6-7-16(12-18)19-15/h3-5,8,15-17H,2,6-7,9-12H2,1H3
InChIKeyVPBJHLVUIDIREJ-UHFFFAOYSA-N
XLogP2.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]propan-1-amine
CID 66370234
N-[[3-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]phenyl]methyl]ethanamine
CID 66370228
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
N-[[3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]ethanamine
CID 64583996
N-[[3-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 55216612
N-[[3-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62425610
N-[[3-(1,4-oxazepan-4-ylmethyl)phenyl]methyl]ethanamine
CID 62974479
N-[[3-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62433615
N-[[2-methyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-3-yl]methyl]ethanamine
CID 66370823
[3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-ylmethyl)phenyl]methanamine
CID 84786236
N-[[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]ethanamine
CID 104960940
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665

Frequently Asked Questions

What is the IUPAC name of N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine (CID 66371224) is N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine is CCNCc1cccc(CN2CC3CCC(C2)O3)c1.
What is the InChIKey of N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine?
The InChIKey is VPBJHLVUIDIREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-17-9-13-4-3-5-14(8-13)10-18-11-15-6-7-16(12-18)19-15/h3-5,8,15-17H,2,6-7,9-12H2,1H3.
What are the key properties of N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine?
N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66371224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).