(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane

C13H15Cl2N — CID 58854738

IUPAC(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
InChIKeyYCEPPWZMXQMHRV-HQVZTVAUSA-N
MW256.18 g/mol
LogP3.59
Rot. Bonds2

About (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane

(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 58854738) has the molecular formula C13H15Cl2N and a molecular weight of 256.18 g/mol. Its IUPAC name is (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane
PubChem CID58854738
Molecular FormulaC13H15Cl2N
Molecular Weight256.18 g/mol
Exact Mass255.06
IUPAC Name(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane
SMILESCCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1
InChIKeyYCEPPWZMXQMHRV-HQVZTVAUSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane (CID 58854738) is (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane is CCN1CC2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is YCEPPWZMXQMHRV-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H15Cl2N/c1-2-16-7-10-6-13(10,8-16)9-3-4-11(14)12(15)5-9/h3-5,10H,2,6-8H2,1H3/t10?,13-/m0/s1.
What are the key properties of (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane?
(1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 256.18 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,4-dichlorophenyl)-3-ethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 58854738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).