(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

C15H19Cl2N — CID 135292775

IUPAC(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2CC2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15?/m0/s1
InChIKeyRYOHJCISZJQSMG-SFVWDYPZSA-N
MW284.23 g/mol
LogP4.27
Rot. Bonds3

About (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane

(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 135292775) has the molecular formula C15H19Cl2N and a molecular weight of 284.23 g/mol. Its IUPAC name is (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
PubChem CID135292775
Molecular FormulaC15H19Cl2N
Molecular Weight284.23 g/mol
Exact Mass283.09
IUPAC Name(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
SMILESCC(C)N1C[C@@H]2CC2(Cc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15?/m0/s1
InChIKeyRYOHJCISZJQSMG-SFVWDYPZSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane (CID 135292775) is (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is CC(C)N1C[C@@H]2CC2(Cc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is RYOHJCISZJQSMG-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H19Cl2N/c1-10(2)18-8-12-7-15(12,9-18)6-11-3-4-13(16)14(17)5-11/h3-5,10,12H,6-9H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane?
(5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 284.23 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-[(3,4-dichlorophenyl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 135292775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).