N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine

C15H19BrFN — CID 114229724

IUPACN-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1c1cc(F)ccc1Br
InChIInChI=1S/C15H19BrFN/c1-15(2)12(8-18-10-4-5-10)14(15)11-7-9(17)3-6-13(11)16/h3,6-7,10,12,14,18H,4-5,8H2,1-2H3
InChIKeyFNARPFXZXDSEAI-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.08
Rot. Bonds4

About N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine

N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine (PubChem CID 114229724) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
PubChem CID114229724
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC NameN-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine
SMILESCC1(C)C(CNC2CC2)C1c1cc(F)ccc1Br
InChIInChI=1S/C15H19BrFN/c1-15(2)12(8-18-10-4-5-10)14(15)11-7-9(17)3-6-13(11)16/h3,6-7,10,12,14,18H,4-5,8H2,1-2H3
InChIKeyFNARPFXZXDSEAI-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine (CID 114229724) is N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine is CC1(C)C(CNC2CC2)C1c1cc(F)ccc1Br.
What is the InChIKey of N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
The InChIKey is FNARPFXZXDSEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c1-15(2)12(8-18-10-4-5-10)14(15)11-7-9(17)3-6-13(11)16/h3,6-7,10,12,14,18H,4-5,8H2,1-2H3.
What are the key properties of N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine?
N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine has a molecular weight of 312.23 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-bromo-5-fluorophenyl)-2,2-dimethylcyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 114229724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).