7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine

C10H13IN2 — CID 18687351

IUPAC7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCN1CCc2c(N)cc(I)cc2C1
InChIInChI=1S/C10H13IN2/c1-13-3-2-9-7(6-13)4-8(11)5-10(9)12/h4-5H,2-3,6,12H2,1H3
InChIKeyTURUXQBDUIGXMG-UHFFFAOYSA-N
MW288.13 g/mol
LogP1.86
Rot. Bonds

About 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine

7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine (PubChem CID 18687351) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine.

Molecular Properties

Compound Name7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
PubChem CID18687351
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC Name7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine
SMILESCN1CCc2c(N)cc(I)cc2C1
InChIInChI=1S/C10H13IN2/c1-13-3-2-9-7(6-13)4-8(11)5-10(9)12/h4-5H,2-3,6,12H2,1H3
InChIKeyTURUXQBDUIGXMG-UHFFFAOYSA-N
XLogP1.86
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N,5-N,2-trimethyl-3,4-dihydro-1H-isoquinoline-5,7-diamine
CID 167201846
6-amino-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol
CID 84656601
5-iodo-2-methyl-7-nitro-3,4-dihydro-1H-isoquinoline
CID 171755650
2-methyl-5-prop-1-en-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201837
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
5-cyclopropyloxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201747
5-(cyclopropylmethoxy)-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201751
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 10035152
2-(3-aminopropyl)-7-methyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581888
2-methyl-5-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-7-amine
CID 167201726

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The IUPAC name of 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine (CID 18687351) is 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine.
What is the SMILES notation for 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The canonical SMILES for 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine is CN1CCc2c(N)cc(I)cc2C1.
What is the InChIKey of 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
The InChIKey is TURUXQBDUIGXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN2/c1-13-3-2-9-7(6-13)4-8(11)5-10(9)12/h4-5H,2-3,6,12H2,1H3.
What are the key properties of 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine?
7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine has a molecular weight of 288.13 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2-methyl-3,4-dihydro-1H-isoquinolin-5-amine is sourced from PubChem (CID 18687351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).