N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C16H20BrNO2 — CID 62453015

IUPACN-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H20BrNO2/c1-12(2)8-18-9-13-7-16(19-10-13)11-20-15-5-3-14(17)4-6-15/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyQIFPSOPALORNAK-UHFFFAOYSA-N
MW338.25 g/mol
LogP4.37
Rot. Bonds7

About N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 62453015) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID62453015
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(COc2ccc(Br)cc2)c1
InChIInChI=1S/C16H20BrNO2/c1-12(2)8-18-9-13-7-16(19-10-13)11-20-15-5-3-14(17)4-6-15/h3-7,10,12,18H,8-9,11H2,1-2H3
InChIKeyQIFPSOPALORNAK-UHFFFAOYSA-N
XLogP4.37
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[5-[(4-methylphenoxy)methyl]furan-3-yl]methyl]propan-1-amine
CID 62451987
N-[[5-[(2-bromo-4-chlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63497529
2-methyl-N-[[5-[(1-methylpyrazol-4-yl)oxymethyl]furan-3-yl]methyl]propan-1-amine
CID 116793496
N-[[5-[(2,4-dichlorophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 63498761
N-methyl-1-[5-[(4-propan-2-ylphenoxy)methyl]furan-3-yl]methanamine
CID 62453127
N-[[5-[(4-propylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 62548921
2-methyl-N-[[5-(1-phenylethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62443435
N-[[4-[(5-bromo-2-pyridinyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 104796281
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
CID 114342453
N-[[5-(1-ethoxypropan-2-yloxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 103490491
N-[[2-(4-bromophenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296075
N-[[5-[(5-bromo-2-methylphenoxy)methyl]furan-3-yl]methyl]ethanamine
CID 107286269

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 62453015) is N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1coc(COc2ccc(Br)cc2)c1.
What is the InChIKey of N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is QIFPSOPALORNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c1-12(2)8-18-9-13-7-16(19-10-13)11-20-15-5-3-14(17)4-6-15/h3-7,10,12,18H,8-9,11H2,1-2H3.
What are the key properties of N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 338.25 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromophenoxy)methyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62453015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).