1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine

C17H15IN2 — CID 105020092

IUPAC1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccccc1I)c1cccc2ncccc12
InChIInChI=1S/C17H15IN2/c1-19-17(14-6-2-3-9-15(14)18)13-7-4-10-16-12(13)8-5-11-20-16/h2-11,17,19H,1H3
InChIKeyZVQSFGVTDQMQAS-UHFFFAOYSA-N
MW374.23 g/mol
LogP4.15
Rot. Bonds3

About 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine

1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine (PubChem CID 105020092) has the molecular formula C17H15IN2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine.

Molecular Properties

Compound Name1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
PubChem CID105020092
Molecular FormulaC17H15IN2
Molecular Weight374.23 g/mol
Exact Mass374.03
IUPAC Name1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine
SMILESCNC(c1ccccc1I)c1cccc2ncccc12
InChIInChI=1S/C17H15IN2/c1-19-17(14-6-2-3-9-15(14)18)13-7-4-10-16-12(13)8-5-11-20-16/h2-11,17,19H,1H3
InChIKeyZVQSFGVTDQMQAS-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

[(2-iodophenyl)-quinolin-5-ylmethyl]hydrazine
CID 105326944
1-(4-fluorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 78917800
1-(3,5-dimethylphenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020075
1-(2,4-dichlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 115604968
N-methyl-1-(3-methylphenyl)-1-quinolin-5-ylmethanamine
CID 81220394
1-(4-bromo-2-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020044
1-(2-bromo-4-chlorophenyl)-N-methyl-1-quinolin-5-ylmethanamine
CID 107994637
5-(1-iodoethyl)quinoline
CID 130224458
1-(3-bromo-2-fluorophenyl)-N-methyl-1-quinolin-4-ylmethanamine
CID 106648191
N-methyl-1-(3-methylthiophen-2-yl)-1-quinolin-5-ylmethanamine
CID 115604972
N-methyl-1-(5-methylthiophen-3-yl)-1-quinolin-5-ylmethanamine
CID 105155662
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-quinolin-5-ylmethanamine
CID 105020135

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The IUPAC name of 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine (CID 105020092) is 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine.
What is the SMILES notation for 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The canonical SMILES for 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine is CNC(c1ccccc1I)c1cccc2ncccc12.
What is the InChIKey of 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
The InChIKey is ZVQSFGVTDQMQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IN2/c1-19-17(14-6-2-3-9-15(14)18)13-7-4-10-16-12(13)8-5-11-20-16/h2-11,17,19H,1H3.
What are the key properties of 1-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine?
1-(2-iodophenyl)-N-methyl-1-quinolin-5-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-(2-iodophenyl)-N-methyl-1-quinolin-5-ylmethanamine is sourced from PubChem (CID 105020092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).