(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

C25H25FN2 — CID 91299197

IUPAC(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccccc1N1CC2C(N(Cc3ccccc3)Cc3ccccc3)[C@H]2C1
InChIInChI=1S/C25H25FN2/c26-23-13-7-8-14-24(23)27-17-21-22(18-27)25(21)28(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22?,25?/m0/s1
InChIKeyVJYPYMDVMDINKM-LBXYRFPKSA-N
MW372.49 g/mol
LogP4.96
Rot. Bonds6

About (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine

(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (PubChem CID 91299197) has the molecular formula C25H25FN2 and a molecular weight of 372.49 g/mol. Its IUPAC name is (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
PubChem CID91299197
Molecular FormulaC25H25FN2
Molecular Weight372.49 g/mol
Exact Mass372.20
IUPAC Name(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine
SMILESFc1ccccc1N1CC2C(N(Cc3ccccc3)Cc3ccccc3)[C@H]2C1
InChIInChI=1S/C25H25FN2/c26-23-13-7-8-14-24(23)27-17-21-22(18-27)25(21)28(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22?,25?/m0/s1
InChIKeyVJYPYMDVMDINKM-LBXYRFPKSA-N
XLogP4.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 54.96
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-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The IUPAC name of (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine (CID 91299197) is (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is Fc1ccccc1N1CC2C(N(Cc3ccccc3)Cc3ccccc3)[C@H]2C1.
What is the InChIKey of (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
The InChIKey is VJYPYMDVMDINKM-LBXYRFPKSA-N. The full InChI is InChI=1S/C25H25FN2/c26-23-13-7-8-14-24(23)27-17-21-22(18-27)25(21)28(15-19-9-3-1-4-10-19)16-20-11-5-2-6-12-20/h1-14,21-22,25H,15-18H2/t21-,22?,25?/m0/s1.
What are the key properties of (5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine?
(5R)-N,N-dibenzyl-3-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine has a molecular weight of 372.49 g/mol, XLogP of 4.96, 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-(2-fluorophenyl)-3-azabicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 91299197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).