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

C16H24N2O — CID 66394076

IUPACN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H24N2O/c1-12(2)17-9-13-5-3-4-6-16(13)18-10-14-7-8-15(11-18)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyAJKOZZPOSICHGN-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.55
Rot. Bonds4

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

N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine (PubChem CID 66394076) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
PubChem CID66394076
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H24N2O/c1-12(2)17-9-13-5-3-4-6-16(13)18-10-14-7-8-15(11-18)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3
InChIKeyAJKOZZPOSICHGN-UHFFFAOYSA-N
XLogP2.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-2-amine
CID 81247460
N-[(2-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 43213770
N-[[2-(azepan-1-yl)phenyl]methyl]propan-2-amine
CID 43280522
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393102
N-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 43620593
N,N-dimethyl-1-[2-[(propan-2-ylamino)methyl]phenyl]piperidin-4-amine
CID 43586297
N-[[2-(1,3-dihydroisoindol-2-yl)phenyl]methyl]propan-2-amine
CID 62205562
N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66370743
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
N-[[2-(4-methoxypiperidin-1-yl)phenyl]methyl]propan-2-amine
CID 43373123
[6,6-dimethyl-4-[2-[(propan-2-ylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114777535
1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544

Frequently Asked Questions

What is the IUPAC name of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine (CID 66394076) is N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine is CC(C)NCc1ccccc1N1CC2CCC(C1)O2.
What is the InChIKey of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
The InChIKey is AJKOZZPOSICHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)17-9-13-5-3-4-6-16(13)18-10-14-7-8-15(11-18)19-14/h3-6,12,14-15,17H,7-11H2,1-2H3.
What are the key properties of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine?
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 66394076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).