N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

C15H14BrF2NO2 — CID 107101510

IUPACN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCc2cc(CNC3CC3)co2)c1F
InChIInChI=1S/C15H14BrF2NO2/c16-10-4-13(17)15(18)14(5-10)21-8-12-3-9(7-20-12)6-19-11-1-2-11/h3-5,7,11,19H,1-2,6,8H2
InChIKeyYVOBGUXZNSBSCE-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.15
Rot. Bonds6

About N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine

N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 107101510) has the molecular formula C15H14BrF2NO2 and a molecular weight of 358.18 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID107101510
Molecular FormulaC15H14BrF2NO2
Molecular Weight358.18 g/mol
Exact Mass357.02
IUPAC NameN-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)cc(OCc2cc(CNC3CC3)co2)c1F
InChIInChI=1S/C15H14BrF2NO2/c16-10-4-13(17)15(18)14(5-10)21-8-12-3-9(7-20-12)6-19-11-1-2-11/h3-5,7,11,19H,1-2,6,8H2
InChIKeyYVOBGUXZNSBSCE-UHFFFAOYSA-N
XLogP4.15
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107286141
N-[[5-[(2-chloro-4-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62673103
N-[[5-[(4-bromophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 82831319
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclopropanamine
CID 107100647
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-carbohydrazide
CID 107101927
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051
N-[2-(5-bromo-2,3-difluorophenoxy)ethyl]cyclohexanamine
CID 107101679
N-[[5-[(4-chlorophenyl)methoxymethyl]furan-3-yl]methyl]cyclopropanamine
CID 65125603
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62485139

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 107101510) is N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is Fc1cc(Br)cc(OCc2cc(CNC3CC3)co2)c1F.
What is the InChIKey of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is YVOBGUXZNSBSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO2/c16-10-4-13(17)15(18)14(5-10)21-8-12-3-9(7-20-12)6-19-11-1-2-11/h3-5,7,11,19H,1-2,6,8H2.
What are the key properties of N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 358.18 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107101510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).