N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

C16H17BrFNO2 — CID 62484961

IUPACN-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2ccc(Br)cc2F)cc1CNC1CC1
InChIInChI=1S/C16H17BrFNO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyYPNIAMITKZJFLQ-UHFFFAOYSA-N
MW354.22 g/mol
LogP4.32
Rot. Bonds6

About N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine

N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (PubChem CID 62484961) has the molecular formula C16H17BrFNO2 and a molecular weight of 354.22 g/mol. Its IUPAC name is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
PubChem CID62484961
Molecular FormulaC16H17BrFNO2
Molecular Weight354.22 g/mol
Exact Mass353.04
IUPAC NameN-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
SMILESCc1oc(COc2ccc(Br)cc2F)cc1CNC1CC1
InChIInChI=1S/C16H17BrFNO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyYPNIAMITKZJFLQ-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-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-[(2,4-dibromophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 64712809
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
N-[[5-[(2-bromo-4-methylphenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62460346
N-[[5-[(2,5-dichlorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62450215
N-[[4-[(4-bromo-2-fluorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80723282
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62484964
N-[[3-[(4-bromo-2-fluorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62486032
N-[[5-[(5-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]propan-2-amine
CID 114676848
N-[[5-(2,2-difluoroethoxymethyl)-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 82005395
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 102986704
N-[[2-methyl-5-(phenylmethoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62444645

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine (CID 62484961) is N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is Cc1oc(COc2ccc(Br)cc2F)cc1CNC1CC1.
What is the InChIKey of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
The InChIKey is YPNIAMITKZJFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNO2/c1-10-11(8-19-13-3-4-13)6-14(21-10)9-20-16-5-2-12(17)7-15(16)18/h2,5-7,13,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine?
N-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-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-[[5-[(4-bromo-2-fluorophenoxy)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62484961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).