1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine

C17H15IN2 — CID 105021072

IUPAC1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)11-13)14-7-8-16-12(10-14)5-3-9-20-16/h2-11,17,19H,1H3
InChIKeyXTOZIBWDWWTXNZ-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.15
Rot. Bonds3

About 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine

1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine (PubChem CID 105021072) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine.

Molecular Properties

Compound Name1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
PubChem CID105021072
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine
SMILESCNC(c1cccc(I)c1)c1ccc2ncccc2c1
InChIInChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)11-13)14-7-8-16-12(10-14)5-3-9-20-16/h2-11,17,19H,1H3
InChIKeyXTOZIBWDWWTXNZ-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.15
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

1-(3-iodophenyl)-N-methyl-1-quinolin-7-ylmethanamine
CID 105021623
1-(4-fluoro-3-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096854
1-(3-bromo-4-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021051
N-methyl-1-(2-methylpyrimidin-4-yl)-1-quinolin-6-ylmethanamine
CID 115530668
1-(5-bromofuran-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105021001
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 105020999
1-(4-fluoro-2-methylphenyl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63096681
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-quinolin-6-ylmethanamine
CID 63970196
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
N-[(3-methylphenyl)-quinolin-6-ylmethyl]ethanamine
CID 63095453
1-[(1E)-cycloocten-1-yl]-N-methyl-1-quinolin-6-ylmethanamine
CID 106652944
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The IUPAC name of 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine (CID 105021072) is 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine.
What is the SMILES notation for 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The canonical SMILES for 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine is CNC(c1cccc(I)c1)c1ccc2ncccc2c1.
What is the InChIKey of 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine?
The InChIKey is XTOZIBWDWWTXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c1-19-17(13-4-2-6-15(18)11-13)14-7-8-16-12(10-14)5-3-9-20-16/h2-11,17,19H,1H3.
What are the key properties of 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine?
1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine has a molecular weight of 374.23 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodophenyl)-N-methyl-1-quinolin-6-ylmethanamine is sourced from PubChem (CID 105021072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).