6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine

C10H13IN2 — CID 130865583

IUPAC6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCNC1CCNc2ccc(I)cc21
InChIInChI=1S/C10H13IN2/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12-13H,4-5H2,1H3
InChIKeyNJCDANMGDZRFMZ-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.37
Rot. Bonds1

About 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine

6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 130865583) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID130865583
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCNC1CCNc2ccc(I)cc21
InChIInChI=1S/C10H13IN2/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12-13H,4-5H2,1H3
InChIKeyNJCDANMGDZRFMZ-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454813
6-methyl-N-propan-2-yl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105456822
7-iodo-1,2,3,4-tetrahydroquinoline-4-thiol
CID 130951463
4-iodo-6-methyl-1,2,3,4-tetrahydroquinoline
CID 130774875
1-(6-chloro-1,2,3,4-tetrahydroquinolin-4-yl)-N-methylmethanamine
CID 105464651
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
4-fluoro-6-methyl-1,2,3,4-tetrahydroquinoline
CID 84717052
N-cyclopropyl-7-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105454809
6-fluoro-N-methyl-2,3-dihydro-1H-indol-3-amine
CID 84739527
(2S,3R,4R)-2-ethyl-6-iodo-N-(4-iodophenyl)-3-methyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 100908510
4-(propan-2-ylamino)-1,2,3,4-tetrahydroquinolin-7-ol
CID 105459379
6-methyl-4-piperidin-1-yl-1,2,3,4-tetrahydroquinoline
CID 82275555

Frequently Asked Questions

What is the IUPAC name of 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 130865583) is 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine is CNC1CCNc2ccc(I)cc21.
What is the InChIKey of 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is NJCDANMGDZRFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c1-12-9-4-5-13-10-3-2-7(11)6-8(9)10/h2-3,6,9,12-13H,4-5H2,1H3.
What are the key properties of 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine?
6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 288.13 g/mol, XLogP of 2.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N-methyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 130865583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).