(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

C25H24F2N2 — CID 91519185

IUPAC(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccc(N2CC3C(N(Cc4ccccc4)Cc4ccccc4)[C@H]3C2)cc1F
InChIInChI=1S/C25H24F2N2/c26-23-12-11-20(13-24(23)27)28-16-21-22(17-28)25(21)29(14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13,21-22,25H,14-17H2/t21-,22?,25?/m0/s1
InChIKeyWVKNMOMOZYUHDB-LBXYRFPKSA-N
MW390.48 g/mol
LogP5.10
Rot. Bonds6

About (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 91519185) has the molecular formula C25H24F2N2 and a molecular weight of 390.48 g/mol. Its IUPAC name is (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID91519185
Molecular FormulaC25H24F2N2
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccc(N2CC3C(N(Cc4ccccc4)Cc4ccccc4)[C@H]3C2)cc1F
InChIInChI=1S/C25H24F2N2/c26-23-12-11-20(13-24(23)27)28-16-21-22(17-28)25(21)29(14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13,21-22,25H,14-17H2/t21-,22?,25?/m0/s1
InChIKeyWVKNMOMOZYUHDB-LBXYRFPKSA-N
XLogP5.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 91519185) is (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is Fc1ccc(N2CC3C(N(Cc4ccccc4)Cc4ccccc4)[C@H]3C2)cc1F.
What is the InChIKey of (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is WVKNMOMOZYUHDB-LBXYRFPKSA-N. The full InChI is InChI=1S/C25H24F2N2/c26-23-12-11-20(13-24(23)27)28-16-21-22(17-28)25(21)29(14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13,21-22,25H,14-17H2/t21-,22?,25?/m0/s1.
What are the key properties of (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
(5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 390.48 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-dibenzyl-3-(3,4-difluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 91519185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).