N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine

C14H13BrFNO — CID 43624901

IUPACN-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-13-7-9(16)1-5-12(13)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyNGPULIDTPFSHDL-UHFFFAOYSA-N
MW310.17 g/mol
LogP4.10
Rot. Bonds4

About N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 43624901) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID43624901
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC NameN-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1
InChIInChI=1S/C14H13BrFNO/c15-13-7-9(16)1-5-12(13)14-6-4-11(18-14)8-17-10-2-3-10/h1,4-7,10,17H,2-3,8H2
InChIKeyNGPULIDTPFSHDL-UHFFFAOYSA-N
XLogP4.10
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624821
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 107593425
N-[[5-(5-bromo-2-chlorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 62909759
N-[[5-(2,3,4,5,6-pentafluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 115564773
N-[[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 55065577
N-[[5-(3,5-dichloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 107577110
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
N-[[5-(2-iodophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624861
N-[[5-(2-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 43624901) is N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is Fc1ccc(-c2ccc(CNC3CC3)o2)c(Br)c1.
What is the InChIKey of N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is NGPULIDTPFSHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFNO/c15-13-7-9(16)1-5-12(13)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-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 310.17 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 43624901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).