N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine

C14H13BrClNO — CID 62909759

IUPACN-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H13BrClNO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyBQDRUSIUKIOYQH-UHFFFAOYSA-N
MW326.62 g/mol
LogP4.61
Rot. Bonds4

About N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 62909759) has the molecular formula C14H13BrClNO and a molecular weight of 326.62 g/mol. Its IUPAC name is N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID62909759
Molecular FormulaC14H13BrClNO
Molecular Weight326.62 g/mol
Exact Mass324.99
IUPAC NameN-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESClc1ccc(Br)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C14H13BrClNO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyBQDRUSIUKIOYQH-UHFFFAOYSA-N
XLogP4.61
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 62909759) is N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine is Clc1ccc(Br)cc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is BQDRUSIUKIOYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO/c15-9-1-5-13(16)12(7-9)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2.
What are the key properties of N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 326.62 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62909759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).