1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine

C16H24N2O — CID 66371244

IUPAC1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H24N2O/c1-2-13(17)9-12-5-3-4-6-16(12)18-10-14-7-8-15(11-18)19-14/h3-6,13-15H,2,7-11,17H2,1H3
InChIKeyLJEXZLUIOCARAY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.33
Rot. Bonds4

About 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine

1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine (PubChem CID 66371244) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
PubChem CID66371244
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1ccccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H24N2O/c1-2-13(17)9-12-5-3-4-6-16(12)18-10-14-7-8-15(11-18)19-14/h3-6,13-15H,2,7-11,17H2,1H3
InChIKeyLJEXZLUIOCARAY-UHFFFAOYSA-N
XLogP2.33
TPSA38.49 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
1-(2-pyrrolidin-1-ylphenyl)butan-2-amine
CID 63787070
[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393102
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66394076
1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794140
1-[2-[4-(methoxymethyl)piperidin-1-yl]phenyl]butan-2-amine
CID 63980496
1-[2-(4,4-dimethylazepan-1-yl)phenyl]butan-2-amine
CID 65286445
1-[2-(4-ethyl-4-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 63793471
1-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]butan-2-amine
CID 63794003
1-[1,3-dimethyl-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyrazol-4-yl]butan-2-amine
CID 66371633
1-[2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)phenyl]butan-2-amine
CID 64579290
1-[2-(3,4-dimethoxypyrrolidin-1-yl)phenyl]propan-2-amine
CID 103540626

Frequently Asked Questions

What is the IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine (CID 66371244) is 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine is CCC(N)Cc1ccccc1N1CC2CCC(C1)O2.
What is the InChIKey of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The InChIKey is LJEXZLUIOCARAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-13(17)9-12-5-3-4-6-16(12)18-10-14-7-8-15(11-18)19-14/h3-6,13-15H,2,7-11,17H2,1H3.
What are the key properties of 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine has a molecular weight of 260.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine is sourced from PubChem (CID 66371244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).