N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine

C14H12BrF2NO — CID 106943314

IUPACN-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(F)c1-c1ccoc1CNC1CC1
InChIInChI=1S/C14H12BrF2NO/c15-10-3-4-11(16)13(14(10)17)9-5-6-19-12(9)7-18-8-1-2-8/h3-6,8,18H,1-2,7H2
InChIKeyAENLQPGFLGGTJU-UHFFFAOYSA-N
MW328.16 g/mol
LogP4.24
Rot. Bonds4

About N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine

N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine (PubChem CID 106943314) has the molecular formula C14H12BrF2NO and a molecular weight of 328.16 g/mol. Its IUPAC name is N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
PubChem CID106943314
Molecular FormulaC14H12BrF2NO
Molecular Weight328.16 g/mol
Exact Mass327.01
IUPAC NameN-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(F)c1-c1ccoc1CNC1CC1
InChIInChI=1S/C14H12BrF2NO/c15-10-3-4-11(16)13(14(10)17)9-5-6-19-12(9)7-18-8-1-2-8/h3-6,8,18H,1-2,7H2
InChIKeyAENLQPGFLGGTJU-UHFFFAOYSA-N
XLogP4.24
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.16
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine (CID 106943314) is N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine is Fc1ccc(Br)c(F)c1-c1ccoc1CNC1CC1.
What is the InChIKey of N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine?
The InChIKey is AENLQPGFLGGTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO/c15-10-3-4-11(16)13(14(10)17)9-5-6-19-12(9)7-18-8-1-2-8/h3-6,8,18H,1-2,7H2.
What are the key properties of N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine?
N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine has a molecular weight of 328.16 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106943314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).