N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

C16H17BrFNO2 — CID 114676891

IUPACN-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-10-11(6-14(21-10)8-19-13-3-4-13)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyCVRAWJYXKGLAOT-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.32
Rot. Bonds6

About N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine

N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (PubChem CID 114676891) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
PubChem CID114676891
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC NameN-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
SMILESCc1oc(CNC2CC2)cc1COc1cc(Br)ccc1F
InChIInChI=1S/C16H17BrFNO2/c1-10-11(6-14(21-10)8-19-13-3-4-13)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyCVRAWJYXKGLAOT-UHFFFAOYSA-N
XLogP4.32
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62484961
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704
N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[4-[(4-chloro-3-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 82718836
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[4-(methoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445621
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-[(3,4-dichlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 62486306
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[4-[(5-chloro-3-pyridinyl)oxymethyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 64601067
N-[[4-(3,3-dimethylbutoxymethyl)-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 66226191

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine (CID 114676891) is N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is Cc1oc(CNC2CC2)cc1COc1cc(Br)ccc1F.
What is the InChIKey of N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
The InChIKey is CVRAWJYXKGLAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10-11(6-14(21-10)8-19-13-3-4-13)9-20-16-7-12(17)2-5-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine?
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine has a molecular weight of 354.22 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114676891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).