1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine

C16H23ClN2O — CID 66370852

IUPAC1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H23ClN2O/c1-2-11(18)8-14-15(17)4-3-5-16(14)19-9-12-6-7-13(10-19)20-12/h3-5,11-13H,2,6-10,18H2,1H3
InChIKeyVHHPQQBBZYGUOX-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine

1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine (PubChem CID 66370852) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
PubChem CID66370852
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
SMILESCCC(N)Cc1c(Cl)cccc1N1CC2CCC(C1)O2
InChIInChI=1S/C16H23ClN2O/c1-2-11(18)8-14-15(17)4-3-5-16(14)19-9-12-6-7-13(10-19)20-12/h3-5,11-13H,2,6-10,18H2,1H3
InChIKeyVHHPQQBBZYGUOX-UHFFFAOYSA-N
XLogP2.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66371244
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-[2-chloro-6-(2-methylmorpholin-4-yl)phenyl]butan-2-amine
CID 63786250
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
1-[2-chloro-6-(4-propan-2-ylpiperidin-1-yl)phenyl]propan-2-amine
CID 103503885
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892
2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)benzaldehyde
CID 66391144
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-chloro-6-(3-ethylpiperidin-1-yl)phenyl]propan-2-amine
CID 63787159
1-(2-chloro-6-pyrrolidin-1-ylphenyl)propan-2-amine
CID 63787072
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 82699665

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine (CID 66370852) is 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine is CCC(N)Cc1c(Cl)cccc1N1CC2CCC(C1)O2.
What is the InChIKey of 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
The InChIKey is VHHPQQBBZYGUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-11(18)8-14-15(17)4-3-5-16(14)19-9-12-6-7-13(10-19)20-12/h3-5,11-13H,2,6-10,18H2,1H3.
What are the key properties of 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine?
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine has a molecular weight of 294.83 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine is sourced from PubChem (CID 66370852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).