6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine

C11H15IN2 — CID 170318472

IUPAC6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCNc1cc2c(cc1I)CCN(C)C2
InChIInChI=1S/C11H15IN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyZBOXMMJMDSDCAB-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.32
Rot. Bonds1

About 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine

6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine (PubChem CID 170318472) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine.

Molecular Properties

Compound Name6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine
PubChem CID170318472
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine
SMILESCNc1cc2c(cc1I)CCN(C)C2
InChIInChI=1S/C11H15IN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5-6,13H,3-4,7H2,1-2H3
InChIKeyZBOXMMJMDSDCAB-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine?
The IUPAC name of 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine (CID 170318472) is 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine.
What is the SMILES notation for 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine?
The canonical SMILES for 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine is CNc1cc2c(cc1I)CCN(C)C2.
What is the InChIKey of 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine?
The InChIKey is ZBOXMMJMDSDCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2/c1-13-11-6-9-7-14(2)4-3-8(9)5-10(11)12/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine?
6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine has a molecular weight of 302.16 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine is sourced from PubChem (CID 170318472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).