3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine

C12H16N2O — CID 115004150

IUPAC3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccccc1N1CC2C(N)C2C1
InChIInChI=1S/C12H16N2O/c1-15-11-5-3-2-4-10(11)14-6-8-9(7-14)12(8)13/h2-5,8-9,12H,6-7,13H2,1H3
InChIKeyDLRDTBFHUWLZTK-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.09
Rot. Bonds2

About 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine

3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 115004150) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID115004150
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESCOc1ccccc1N1CC2C(N)C2C1
InChIInChI=1S/C12H16N2O/c1-15-11-5-3-2-4-10(11)14-6-8-9(7-14)12(8)13/h2-5,8-9,12H,6-7,13H2,1H3
InChIKeyDLRDTBFHUWLZTK-UHFFFAOYSA-N
XLogP1.09
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
CID 159772789
1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
CID 175916234
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
[3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamic acid
CID 69184763
(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 71262063
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
1-(2-propan-2-yloxyphenyl)azetidin-3-amine
CID 117002832
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-methylpiperidin-4-amine
CID 82171487
3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
CID 57317137
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-(2-methoxyphenyl)morpholine-2,6-dione
CID 63779029

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 115004150) is 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine is COc1ccccc1N1CC2C(N)C2C1.
What is the InChIKey of 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is DLRDTBFHUWLZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-15-11-5-3-2-4-10(11)14-6-8-9(7-14)12(8)13/h2-5,8-9,12H,6-7,13H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 204.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 115004150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).