N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine

C16H24N2O — CID 66372167

IUPACN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
SMILESCNC(CCN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-17-16(13-5-3-2-4-6-13)9-10-18-11-14-7-8-15(12-18)19-14/h2-6,14-17H,7-12H2,1H3
InChIKeyUGZSODIJIBLPST-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine

N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine (PubChem CID 66372167) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
PubChem CID66372167
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine
SMILESCNC(CCN1CC2CCC(C1)O2)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-17-16(13-5-3-2-4-6-13)9-10-18-11-14-7-8-15(12-18)19-14/h2-6,14-17H,7-12H2,1H3
InChIKeyUGZSODIJIBLPST-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
CID 66372166
N-methyl-3-(4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 55094265
N-methyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine;hydrochloride
CID 53487306
1-(4-methoxyphenyl)-N-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66393253
3-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83222009
1-[3-(4-fluorophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674209
1-[3-(4-bromophenyl)-3-(methylamino)propyl]pyrrolidine-3,4-diol
CID 106674093
[6-methyl-4-[3-(methylamino)-3-(3-methylphenyl)propyl]morpholin-2-yl]methanol
CID 102936392
(4-fluorophenyl)-[1-[3-(methylamino)-3-phenylpropyl]piperidin-4-yl]methanone
CID 23541367
N-ethyl-1-phenyl-3-(3,4,5-trimethylpiperazin-1-yl)propan-1-amine
CID 114539589
N-[(1S)-1-phenyl-3-(4-phenylpiperidin-1-yl)propyl]methanesulfonamide
CID 141081664
3-(3,4-dimethylpyrrolidin-1-yl)-1-phenyl-N-propylpropan-1-amine
CID 79184402

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine?
The IUPAC name of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine (CID 66372167) is N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine is CNC(CCN1CC2CCC(C1)O2)c1ccccc1.
What is the InChIKey of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine?
The InChIKey is UGZSODIJIBLPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-17-16(13-5-3-2-4-6-13)9-10-18-11-14-7-8-15(12-18)19-14/h2-6,14-17H,7-12H2,1H3.
What are the key properties of N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine?
N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 66372167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).