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

C15H15BrFNO — CID 107593425

IUPACN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(F)c(Br)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H15BrFNO/c1-9-6-14(17)13(16)7-12(9)15-5-4-11(19-15)8-18-10-2-3-10/h4-7,10,18H,2-3,8H2,1H3
InChIKeyVKQIOMYPLPNLHS-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.41
Rot. Bonds4

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

N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 107593425) has the molecular formula C15H15BrFNO and a molecular weight of 324.19 g/mol. Its IUPAC name is N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID107593425
Molecular FormulaC15H15BrFNO
Molecular Weight324.19 g/mol
Exact Mass323.03
IUPAC NameN-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine
SMILESCc1cc(F)c(Br)cc1-c1ccc(CNC2CC2)o1
InChIInChI=1S/C15H15BrFNO/c1-9-6-14(17)13(16)7-12(9)15-5-4-11(19-15)8-18-10-2-3-10/h4-7,10,18H,2-3,8H2,1H3
InChIKeyVKQIOMYPLPNLHS-UHFFFAOYSA-N
XLogP4.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.41
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-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 107593421
N-[[5-(2-bromo-4-methylphenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624931
N-[[5-(2-bromo-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624901
N-[[5-(5-bromo-2-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 43624961
N-[[5-(4-bromo-2-methylphenyl)furan-2-yl]methyl]cyclohexanamine;hydrochloride
CID 17056388
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-fluorophenyl)furan-2-yl]methyl]cyclooctanamine
CID 4723489
N-[[5-(4-chloro-3-fluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 54955493
N-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methyl]cyclopropanamine;hydrochloride
CID 17333117
1-ethyl-N-[[5-(2,3,5-trifluoro-4-methylphenyl)furan-2-yl]methyl]piperidin-4-amine
CID 87736787

Frequently Asked Questions

What is the IUPAC name of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine (CID 107593425) is N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine is Cc1cc(F)c(Br)cc1-c1ccc(CNC2CC2)o1.
What is the InChIKey of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is VKQIOMYPLPNLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO/c1-9-6-14(17)13(16)7-12(9)15-5-4-11(19-15)8-18-10-2-3-10/h4-7,10,18H,2-3,8H2,1H3.
What are the key properties of N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[5-(5-bromo-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 324.19 g/mol, XLogP of 4.41, 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-4-fluoro-2-methylphenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107593425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).