N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine

C15H18BrClFN — CID 106763835

IUPACN-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESFc1c(C2CCCC2CNC2CC2)ccc(Br)c1Cl
InChIInChI=1S/C15H18BrClFN/c16-13-7-6-12(15(18)14(13)17)11-3-1-2-9(11)8-19-10-4-5-10/h6-7,9-11,19H,1-5,8H2
InChIKeyLVXZFPFWQAFNHO-UHFFFAOYSA-N
MW346.67 g/mol
LogP4.88
Rot. Bonds4

About N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine

N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine (PubChem CID 106763835) has the molecular formula C15H18BrClFN and a molecular weight of 346.67 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
PubChem CID106763835
Molecular FormulaC15H18BrClFN
Molecular Weight346.67 g/mol
Exact Mass345.03
IUPAC NameN-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine
SMILESFc1c(C2CCCC2CNC2CC2)ccc(Br)c1Cl
InChIInChI=1S/C15H18BrClFN/c16-13-7-6-12(15(18)14(13)17)11-3-1-2-9(11)8-19-10-4-5-10/h6-7,9-11,19H,1-5,8H2
InChIKeyLVXZFPFWQAFNHO-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.67
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine (CID 106763835) is N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine is Fc1c(C2CCCC2CNC2CC2)ccc(Br)c1Cl.
What is the InChIKey of N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
The InChIKey is LVXZFPFWQAFNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClFN/c16-13-7-6-12(15(18)14(13)17)11-3-1-2-9(11)8-19-10-4-5-10/h6-7,9-11,19H,1-5,8H2.
What are the key properties of N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine?
N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine has a molecular weight of 346.67 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-bromo-3-chloro-2-fluorophenyl)cyclopentyl]methyl]cyclopropanamine is sourced from PubChem (CID 106763835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).