2-(iodomethyl)-1,2,3,4-tetrahydroquinoline

C10H12IN — CID 11778039

IUPAC2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
SMILESICC1CCc2ccccc2N1
InChIInChI=1S/C10H12IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,12H,5-7H2
InChIKeyMUZSKFROPLSBBQ-UHFFFAOYSA-N
MW273.12 g/mol
LogP2.85
Rot. Bonds1

About 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline

2-(iodomethyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 11778039) has the molecular formula C10H12IN and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
PubChem CID11778039
Molecular FormulaC10H12IN
Molecular Weight273.12 g/mol
Exact Mass273.00
IUPAC Name2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
SMILESICC1CCc2ccccc2N1
InChIInChI=1S/C10H12IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,12H,5-7H2
InChIKeyMUZSKFROPLSBBQ-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
2-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroquinoline
CID 106779766
(2S)-2-pentyl-1,2,3,4-tetrahydroquinoline
CID 15606332
2-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroquinoline
CID 115104451
3-phenyl-N-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methyl]propan-1-amine
CID 125489057
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
2-methyl-N-(1,2,3,4-tetrahydroquinolin-2-ylmethyl)propan-1-amine
CID 105473267
2,6-dimethyl-4-[2-(1,2,3,4-tetrahydroquinolin-2-yl)ethyl]phenol
CID 43329134
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
2-[(3-ethylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline
CID 64955352
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205

Frequently Asked Questions

What is the IUPAC name of 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline (CID 11778039) is 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline is ICC1CCc2ccccc2N1.
What is the InChIKey of 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is MUZSKFROPLSBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-4,9,12H,5-7H2.
What are the key properties of 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline?
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 273.12 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 11778039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).