N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

C17H22INO2 — CID 63498603

IUPACN-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COc1cccc(I)c1
InChIInChI=1S/C17H22INO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3
InChIKeyOPVBIIXUFYVPBW-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.66
Rot. Bonds5

About N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 63498603) has the molecular formula C17H22INO2 and a molecular weight of 399.27 g/mol. Its IUPAC name is N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID63498603
Molecular FormulaC17H22INO2
Molecular Weight399.27 g/mol
Exact Mass399.07
IUPAC NameN-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
SMILESCc1oc(CNC(C)(C)C)cc1COc1cccc(I)c1
InChIInChI=1S/C17H22INO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3
InChIKeyOPVBIIXUFYVPBW-UHFFFAOYSA-N
XLogP4.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.66
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

1-[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]-N-methylmethanamine
CID 62486591
2-methyl-N-[[5-methyl-4-(phenoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62454665
N-[[4-[(3-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62460996
N-[[4-[(3-bromophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63498051
N-[[4-[(4-chlorophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62453033
2-methyl-N-[[2-methyl-5-[(3-methylphenoxy)methyl]furan-3-yl]methyl]propan-2-amine
CID 62453419
2-methyl-N-[[5-methyl-4-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 115942837
N-[[4-(3-iodophenoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 63553320
N-[[4-(butoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 55077622
2-methyl-N-[[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62445177
N-[[4-(cyclopentylmethoxymethyl)-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 66324001
1-[5-[(3-ethoxyphenoxy)methyl]-2-methylfuran-3-yl]-N-methylmethanamine
CID 62442170

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine (CID 63498603) is N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is Cc1oc(CNC(C)(C)C)cc1COc1cccc(I)c1.
What is the InChIKey of N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is OPVBIIXUFYVPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22INO2/c1-12-13(8-16(21-12)10-19-17(2,3)4)11-20-15-7-5-6-14(18)9-15/h5-9,19H,10-11H2,1-4H3.
What are the key properties of N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 399.27 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-iodophenoxy)methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63498603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).