1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

C14H16INO2 — CID 62486591

IUPAC1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cccc(I)c2)c(C)o1
InChIInChI=1S/C14H16INO2/c1-10-11(6-14(18-10)8-16-2)9-17-13-5-3-4-12(15)7-13/h3-7,16H,8-9H2,1-2H3
InChIKeyFHMRBOPKODBELC-UHFFFAOYSA-N
MW357.19 g/mol
LogP3.49
Rot. Bonds5

About 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine

1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (PubChem CID 62486591) has the molecular formula C14H16INO2 and a molecular weight of 357.19 g/mol. Its IUPAC name is 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
PubChem CID62486591
Molecular FormulaC14H16INO2
Molecular Weight357.19 g/mol
Exact Mass357.02
IUPAC Name1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
SMILESCNCc1cc(COc2cccc(I)c2)c(C)o1
InChIInChI=1S/C14H16INO2/c1-10-11(6-14(18-10)8-16-2)9-17-13-5-3-4-12(15)7-13/h3-7,16H,8-9H2,1-2H3
InChIKeyFHMRBOPKODBELC-UHFFFAOYSA-N
XLogP3.49
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498603
1-[4-[(4-bromophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62454585
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170
N-methyl-1-[5-methyl-4-[(4-methylsulfanylphenoxy)methyl]furan-2-yl]methanamine
CID 55246356
N-[[4-[(3-bromophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498051
N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460996
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
1-[4-[(2,5-dichlorophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 55077983
1-[2-[(3-iodophenoxy)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62485686
N-methyl-1-[5-methyl-4-(1-phenylethoxymethyl)furan-2-yl]methanamine
CID 62444589
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
N-[[5-[(3-iodophenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 55077107

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine (CID 62486591) is 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is CNCc1cc(COc2cccc(I)c2)c(C)o1.
What is the InChIKey of 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
The InChIKey is FHMRBOPKODBELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16INO2/c1-10-11(6-14(18-10)8-16-2)9-17-13-5-3-4-12(15)7-13/h3-7,16H,8-9H2,1-2H3.
What are the key properties of 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine?
1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine has a molecular weight of 357.19 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine is sourced from PubChem (CID 62486591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).