1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

C17H16INO — CID 105045172

IUPAC1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ccccc1I
InChIInChI=1S/C17H16INO/c1-11-7-8-15-12(9-11)10-16(20-15)17(19-2)13-5-3-4-6-14(13)18/h3-10,17,19H,1-2H3
InChIKeyHLPCBAHGHRQEBX-UHFFFAOYSA-N
MW377.23 g/mol
LogP4.65
Rot. Bonds3

About 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine

1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (PubChem CID 105045172) has the molecular formula C17H16INO and a molecular weight of 377.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
PubChem CID105045172
Molecular FormulaC17H16INO
Molecular Weight377.23 g/mol
Exact Mass377.03
IUPAC Name1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
SMILESCNC(c1cc2cc(C)ccc2o1)c1ccccc1I
InChIInChI=1S/C17H16INO/c1-11-7-8-15-12(9-11)10-16(20-15)17(19-2)13-5-3-4-6-14(13)18/h3-10,17,19H,1-2H3
InChIKeyHLPCBAHGHRQEBX-UHFFFAOYSA-N
XLogP4.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-iodophenyl)-(5-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 105045279
1-(2,3-dimethylphenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045109
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-phenylmethanamine
CID 114727848
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(2-methylfuran-3-yl)methanamine
CID 114730952
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(5-methylfuran-3-yl)methanamine
CID 105045142
N-methyl-1-(5-methyl-1-benzofuran-2-yl)-1-(6-methyl-2-pyridinyl)methanamine
CID 114728572
1-(2,5-dimethylphenyl)-1-(2-iodophenyl)-N-methylmethanamine
CID 43483778
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 107503555
1-(2-bromo-5-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105045169
1-(3,5-difluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114728139
1-(3-fluorophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 114727544

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The IUPAC name of 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine (CID 105045172) is 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The canonical SMILES for 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is CNC(c1cc2cc(C)ccc2o1)c1ccccc1I.
What is the InChIKey of 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
The InChIKey is HLPCBAHGHRQEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16INO/c1-11-7-8-15-12(9-11)10-16(20-15)17(19-2)13-5-3-4-6-14(13)18/h3-10,17,19H,1-2H3.
What are the key properties of 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine?
1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine has a molecular weight of 377.23 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105045172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).