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

C16H18BrNO2 — CID 107286141

IUPACN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C16H18BrNO2/c1-11-2-3-13(17)7-16(11)20-10-15-6-12(9-19-15)8-18-14-4-5-14/h2-3,6-7,9,14,18H,4-5,8,10H2,1H3
InChIKeyHNMAEUBIPDDXBT-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.18
Rot. Bonds6

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

N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (PubChem CID 107286141) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
PubChem CID107286141
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
SMILESCc1ccc(Br)cc1OCc1cc(CNC2CC2)co1
InChIInChI=1S/C16H18BrNO2/c1-11-2-3-13(17)7-16(11)20-10-15-6-12(9-19-15)8-18-14-4-5-14/h2-3,6-7,9,14,18H,4-5,8,10H2,1H3
InChIKeyHNMAEUBIPDDXBT-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]-N-methylmethanamine
CID 107286268
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]ethanamine
CID 107286269
N-[[5-[(5-bromo-2,3-difluorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 107101510
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-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
N-[[5-(propan-2-yloxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62456702
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[5-[(3,4-dichlorophenoxy)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62485051
N-[[5-bromo-2-[(2-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 43277669
N-[[5-[(2,5-dimethylphenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62453576

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine (CID 107286141) is N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is Cc1ccc(Br)cc1OCc1cc(CNC2CC2)co1.
What is the InChIKey of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
The InChIKey is HNMAEUBIPDDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c1-11-2-3-13(17)7-16(11)20-10-15-6-12(9-19-15)8-18-14-4-5-14/h2-3,6-7,9,14,18H,4-5,8,10H2,1H3.
What are the key properties of N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine?
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine has a molecular weight of 336.23 g/mol, XLogP of 4.18, 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-methylphenoxy)methyl]furan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107286141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).