N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine

C15H19BrFN — CID 81034072

IUPACN-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1C1CCCC1CNC1CC1
InChIInChI=1S/C15H19BrFN/c16-11-4-7-15(17)14(8-11)13-3-1-2-10(13)9-18-12-5-6-12/h4,7-8,10,12-13,18H,1-3,5-6,9H2
InChIKeyGNTGVHMWWWZXFE-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.22
Rot. Bonds4

About N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 81034072) has the molecular formula C15H19BrFN and a molecular weight of 312.23 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID81034072
Molecular FormulaC15H19BrFN
Molecular Weight312.23 g/mol
Exact Mass311.07
IUPAC NameN-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1C1CCCC1CNC1CC1
InChIInChI=1S/C15H19BrFN/c16-11-4-7-15(17)14(8-11)13-3-1-2-10(13)9-18-12-5-6-12/h4,7-8,10,12-13,18H,1-3,5-6,9H2
InChIKeyGNTGVHMWWWZXFE-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine (CID 81034072) is N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine is Fc1ccc(Br)cc1C1CCCC1CNC1CC1.
What is the InChIKey of N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is GNTGVHMWWWZXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN/c16-11-4-7-15(17)14(8-11)13-3-1-2-10(13)9-18-12-5-6-12/h4,7-8,10,12-13,18H,1-3,5-6,9H2.
What are the key properties of N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 312.23 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 81034072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).